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/8syk_A-e168fb10/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8syk_A-e168fb10/inputs/seq.fa: 1
curr_seq: _CAGGUACAUCCAGCUGAUGAGUCCCAAAUAGGACAAAAAGGGAGAGGUGAAGAAUACGACCACCUAGGCUCGAAAGAGCCUAAAACAUACCCUUCCUGGAUUCCUGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGGUACAUCCAGCUGAUGAGUCCCAAAUAGGACAAAAAGGGAGAGGUGAAGAAUACGACCACCUAGGCUCGAAAGAGCCUAAAACAUACCCUUCCUGGAUUCCUGCG
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 108 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: 545
n_atoms_counter: 545
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _((((...(((((((....).((((......))))...(((((...((((...........))))(((((((....))))))).......))))).)))))).))))()_
nucl1: 13, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 23, chain1: 0, <---> nucl2: 30, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 23, chainIndex_2: 0, nuclIndex_2: 30
nucl1: 22, chain1: 0, <---> nucl2: 31, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 22, chainIndex_2: 0, nuclIndex_2: 31
nucl1: 21, chain1: 0, <---> nucl2: 32, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 21, chainIndex_2: 0, nuclIndex_2: 32
nucl1: 20, chain1: 0, <---> nucl2: 33, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 33
nucl1: 48, chain1: 0, <---> nucl2: 60, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 48, chainIndex_2: 0, nuclIndex_2: 60
nucl1: 47, chain1: 0, <---> nucl2: 61, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 47, chainIndex_2: 0, nuclIndex_2: 61
nucl1: 46, chain1: 0, <---> nucl2: 62, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 46, chainIndex_2: 0, nuclIndex_2: 62
nucl1: 45, chain1: 0, <---> nucl2: 63, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 45, chainIndex_2: 0, nuclIndex_2: 63
nucl1: 70, chain1: 0, <---> nucl2: 75, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 70, chainIndex_2: 0, nuclIndex_2: 75
nucl1: 69, chain1: 0, <---> nucl2: 76, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 76
nucl1: 68, chain1: 0, <---> nucl2: 77, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 77
nucl1: 67, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 67, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 66, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 66, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 65, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 65, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 64, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 64, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 41, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 41, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 40, chain1: 0, <---> nucl2: 90, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 40, chainIndex_2: 0, nuclIndex_2: 90
nucl1: 39, chain1: 0, <---> nucl2: 91, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 39, chainIndex_2: 0, nuclIndex_2: 91
nucl1: 38, chain1: 0, <---> nucl2: 92, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 38, chainIndex_2: 0, nuclIndex_2: 92
nucl1: 37, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 12, chain1: 0, <---> nucl2: 95, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 95
nucl1: 11, chain1: 0, <---> nucl2: 96, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 96
nucl1: 10, chain1: 0, <---> nucl2: 97, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 97
nucl1: 9, chain1: 0, <---> nucl2: 98, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 98
nucl1: 8, chain1: 0, <---> nucl2: 99, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 99
nucl1: 7, chain1: 0, <---> nucl2: 100, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 100
nucl1: 3, chain1: 0, <---> nucl2: 102, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 102
nucl1: 2, chain1: 0, <---> nucl2: 103, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 103
nucl1: 1, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 0, chain1: 0, <---> nucl2: 105, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 105
nucl1: 106, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 106, chainIndex_2: 0, nuclIndex_2: 107
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 108.000000 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/8syk_A-e168fb10/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8syk_A-e168fb10/inputs/seq.fa: 1
curr_seq: _CAGGUACAUCCAGCUGAUGAGUCCCAAAUAGGACAAAAAGGGAGAGGUGAAGAAUACGACCACCUAGGCUCGAAAGAGCCUAAAACAUACCCUUCCUGGAUUCCUGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGGUACAUCCAGCUGAUGAGUCCCAAAUAGGACAAAAAGGGAGAGGUGAAGAAUACGACCACCUAGGCUCGAAAGAGCCUAAAACAUACCCUUCCUGGAUUCCUGCG
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 108 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: 545
n_atoms_counter: 545
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _((((...(((((((....).((((......))))...(((((...((((...........))))(((((((....))))))).......))))).)))))).))))()_
nucl1: 13, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 23, chain1: 0, <---> nucl2: 30, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 23, chainIndex_2: 0, nuclIndex_2: 30
nucl1: 22, chain1: 0, <---> nucl2: 31, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 22, chainIndex_2: 0, nuclIndex_2: 31
nucl1: 21, chain1: 0, <---> nucl2: 32, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 21, chainIndex_2: 0, nuclIndex_2: 32
nucl1: 20, chain1: 0, <---> nucl2: 33, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 33
nucl1: 48, chain1: 0, <---> nucl2: 60, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 48, chainIndex_2: 0, nuclIndex_2: 60
nucl1: 47, chain1: 0, <---> nucl2: 61, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 47, chainIndex_2: 0, nuclIndex_2: 61
nucl1: 46, chain1: 0, <---> nucl2: 62, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 46, chainIndex_2: 0, nuclIndex_2: 62
nucl1: 45, chain1: 0, <---> nucl2: 63, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 45, chainIndex_2: 0, nuclIndex_2: 63
nucl1: 70, chain1: 0, <---> nucl2: 75, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 70, chainIndex_2: 0, nuclIndex_2: 75
nucl1: 69, chain1: 0, <---> nucl2: 76, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 76
nucl1: 68, chain1: 0, <---> nucl2: 77, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 77
nucl1: 67, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 67, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 66, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 66, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 65, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 65, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 64, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 64, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 41, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 41, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 40, chain1: 0, <---> nucl2: 90, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 40, chainIndex_2: 0, nuclIndex_2: 90
nucl1: 39, chain1: 0, <---> nucl2: 91, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 39, chainIndex_2: 0, nuclIndex_2: 91
nucl1: 38, chain1: 0, <---> nucl2: 92, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 38, chainIndex_2: 0, nuclIndex_2: 92
nucl1: 37, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 12, chain1: 0, <---> nucl2: 95, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 95
nucl1: 11, chain1: 0, <---> nucl2: 96, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 96
nucl1: 10, chain1: 0, <---> nucl2: 97, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 97
nucl1: 9, chain1: 0, <---> nucl2: 98, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 98
nucl1: 8, chain1: 0, <---> nucl2: 99, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 99
nucl1: 7, chain1: 0, <---> nucl2: 100, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 100
nucl1: 3, chain1: 0, <---> nucl2: 102, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 102
nucl1: 2, chain1: 0, <---> nucl2: 103, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 103
nucl1: 1, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 0, chain1: 0, <---> nucl2: 105, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 105
nucl1: 106, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 106, chainIndex_2: 0, nuclIndex_2: 107
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 108.000000 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/8syk_A-e168fb10/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8syk_A-e168fb10/inputs/seq.fa: 1
curr_seq: _CAGGUACAUCCAGCUGAUGAGUCCCAAAUAGGACAAAAAGGGAGAGGUGAAGAAUACGACCACCUAGGCUCGAAAGAGCCUAAAACAUACCCUUCCUGGAUUCCUGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGGUACAUCCAGCUGAUGAGUCCCAAAUAGGACAAAAAGGGAGAGGUGAAGAAUACGACCACCUAGGCUCGAAAGAGCCUAAAACAUACCCUUCCUGGAUUCCUGCG
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 108 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: 545
n_atoms_counter: 545
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _((((...(((((((....).((((......))))...(((((...((((...........))))(((((((....))))))).......))))).)))))).))))()_
nucl1: 13, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 23, chain1: 0, <---> nucl2: 30, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 23, chainIndex_2: 0, nuclIndex_2: 30
nucl1: 22, chain1: 0, <---> nucl2: 31, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 22, chainIndex_2: 0, nuclIndex_2: 31
nucl1: 21, chain1: 0, <---> nucl2: 32, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 21, chainIndex_2: 0, nuclIndex_2: 32
nucl1: 20, chain1: 0, <---> nucl2: 33, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 33
nucl1: 48, chain1: 0, <---> nucl2: 60, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 48, chainIndex_2: 0, nuclIndex_2: 60
nucl1: 47, chain1: 0, <---> nucl2: 61, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 47, chainIndex_2: 0, nuclIndex_2: 61
nucl1: 46, chain1: 0, <---> nucl2: 62, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 46, chainIndex_2: 0, nuclIndex_2: 62
nucl1: 45, chain1: 0, <---> nucl2: 63, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 45, chainIndex_2: 0, nuclIndex_2: 63
nucl1: 70, chain1: 0, <---> nucl2: 75, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 70, chainIndex_2: 0, nuclIndex_2: 75
nucl1: 69, chain1: 0, <---> nucl2: 76, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 76
nucl1: 68, chain1: 0, <---> nucl2: 77, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 77
nucl1: 67, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 67, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 66, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 66, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 65, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 65, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 64, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 64, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 41, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 41, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 40, chain1: 0, <---> nucl2: 90, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 40, chainIndex_2: 0, nuclIndex_2: 90
nucl1: 39, chain1: 0, <---> nucl2: 91, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 39, chainIndex_2: 0, nuclIndex_2: 91
nucl1: 38, chain1: 0, <---> nucl2: 92, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 38, chainIndex_2: 0, nuclIndex_2: 92
nucl1: 37, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 12, chain1: 0, <---> nucl2: 95, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 95
nucl1: 11, chain1: 0, <---> nucl2: 96, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 96
nucl1: 10, chain1: 0, <---> nucl2: 97, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 97
nucl1: 9, chain1: 0, <---> nucl2: 98, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 98
nucl1: 8, chain1: 0, <---> nucl2: 99, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 99
nucl1: 7, chain1: 0, <---> nucl2: 100, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 100
nucl1: 3, chain1: 0, <---> nucl2: 102, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 102
nucl1: 2, chain1: 0, <---> nucl2: 103, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 103
nucl1: 1, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 0, chain1: 0, <---> nucl2: 105, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 105
nucl1: 106, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 106, chainIndex_2: 0, nuclIndex_2: 107
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 108.000000 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/8syk_A-e168fb10/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8syk_A-e168fb10/inputs/seq.fa: 1
curr_seq: _CAGGUACAUCCAGCUGAUGAGUCCCAAAUAGGACAAAAAGGGAGAGGUGAAGAAUACGACCACCUAGGCUCGAAAGAGCCUAAAACAUACCCUUCCUGGAUUCCUGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGGUACAUCCAGCUGAUGAGUCCCAAAUAGGACAAAAAGGGAGAGGUGAAGAAUACGACCACCUAGGCUCGAAAGAGCCUAAAACAUACCCUUCCUGGAUUCCUGCG
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 108 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: 545
n_atoms_counter: 545
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _((((...(((((((....).((((......))))...(((((...((((...........))))(((((((....))))))).......))))).)))))).))))()_
nucl1: 13, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 23, chain1: 0, <---> nucl2: 30, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 23, chainIndex_2: 0, nuclIndex_2: 30
nucl1: 22, chain1: 0, <---> nucl2: 31, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 22, chainIndex_2: 0, nuclIndex_2: 31
nucl1: 21, chain1: 0, <---> nucl2: 32, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 21, chainIndex_2: 0, nuclIndex_2: 32
nucl1: 20, chain1: 0, <---> nucl2: 33, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 33
nucl1: 48, chain1: 0, <---> nucl2: 60, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 48, chainIndex_2: 0, nuclIndex_2: 60
nucl1: 47, chain1: 0, <---> nucl2: 61, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 47, chainIndex_2: 0, nuclIndex_2: 61
nucl1: 46, chain1: 0, <---> nucl2: 62, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 46, chainIndex_2: 0, nuclIndex_2: 62
nucl1: 45, chain1: 0, <---> nucl2: 63, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 45, chainIndex_2: 0, nuclIndex_2: 63
nucl1: 70, chain1: 0, <---> nucl2: 75, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 70, chainIndex_2: 0, nuclIndex_2: 75
nucl1: 69, chain1: 0, <---> nucl2: 76, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 76
nucl1: 68, chain1: 0, <---> nucl2: 77, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 77
nucl1: 67, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 67, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 66, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 66, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 65, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 65, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 64, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 64, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 41, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 41, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 40, chain1: 0, <---> nucl2: 90, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 40, chainIndex_2: 0, nuclIndex_2: 90
nucl1: 39, chain1: 0, <---> nucl2: 91, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 39, chainIndex_2: 0, nuclIndex_2: 91
nucl1: 38, chain1: 0, <---> nucl2: 92, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 38, chainIndex_2: 0, nuclIndex_2: 92
nucl1: 37, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 12, chain1: 0, <---> nucl2: 95, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 95
nucl1: 11, chain1: 0, <---> nucl2: 96, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 96
nucl1: 10, chain1: 0, <---> nucl2: 97, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 97
nucl1: 9, chain1: 0, <---> nucl2: 98, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 98
nucl1: 8, chain1: 0, <---> nucl2: 99, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 99
nucl1: 7, chain1: 0, <---> nucl2: 100, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 100
nucl1: 3, chain1: 0, <---> nucl2: 102, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 102
nucl1: 2, chain1: 0, <---> nucl2: 103, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 103
nucl1: 1, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 0, chain1: 0, <---> nucl2: 105, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 105
nucl1: 106, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 106, chainIndex_2: 0, nuclIndex_2: 107
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 108.000000 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/8syk_A-e168fb10/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8syk_A-e168fb10/inputs/seq.fa: 1
curr_seq: _CAGGUACAUCCAGCUGAUGAGUCCCAAAUAGGACAAAAAGGGAGAGGUGAAGAAUACGACCACCUAGGCUCGAAAGAGCCUAAAACAUACCCUUCCUGGAUUCCUGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGGUACAUCCAGCUGAUGAGUCCCAAAUAGGACAAAAAGGGAGAGGUGAAGAAUACGACCACCUAGGCUCGAAAGAGCCUAAAACAUACCCUUCCUGGAUUCCUGCG
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 108 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: 545
n_atoms_counter: 545
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _((((...(((((((....).((((......))))...(((((...((((...........))))(((((((....))))))).......))))).)))))).))))()_
nucl1: 13, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 23, chain1: 0, <---> nucl2: 30, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 23, chainIndex_2: 0, nuclIndex_2: 30
nucl1: 22, chain1: 0, <---> nucl2: 31, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 22, chainIndex_2: 0, nuclIndex_2: 31
nucl1: 21, chain1: 0, <---> nucl2: 32, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 21, chainIndex_2: 0, nuclIndex_2: 32
nucl1: 20, chain1: 0, <---> nucl2: 33, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 33
nucl1: 48, chain1: 0, <---> nucl2: 60, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 48, chainIndex_2: 0, nuclIndex_2: 60
nucl1: 47, chain1: 0, <---> nucl2: 61, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 47, chainIndex_2: 0, nuclIndex_2: 61
nucl1: 46, chain1: 0, <---> nucl2: 62, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 46, chainIndex_2: 0, nuclIndex_2: 62
nucl1: 45, chain1: 0, <---> nucl2: 63, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 45, chainIndex_2: 0, nuclIndex_2: 63
nucl1: 70, chain1: 0, <---> nucl2: 75, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 70, chainIndex_2: 0, nuclIndex_2: 75
nucl1: 69, chain1: 0, <---> nucl2: 76, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 76
nucl1: 68, chain1: 0, <---> nucl2: 77, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 77
nucl1: 67, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 67, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 66, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 66, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 65, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 65, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 64, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 64, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 41, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 41, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 40, chain1: 0, <---> nucl2: 90, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 40, chainIndex_2: 0, nuclIndex_2: 90
nucl1: 39, chain1: 0, <---> nucl2: 91, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 39, chainIndex_2: 0, nuclIndex_2: 91
nucl1: 38, chain1: 0, <---> nucl2: 92, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 38, chainIndex_2: 0, nuclIndex_2: 92
nucl1: 37, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 12, chain1: 0, <---> nucl2: 95, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 95
nucl1: 11, chain1: 0, <---> nucl2: 96, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 96
nucl1: 10, chain1: 0, <---> nucl2: 97, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 97
nucl1: 9, chain1: 0, <---> nucl2: 98, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 98
nucl1: 8, chain1: 0, <---> nucl2: 99, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 99
nucl1: 7, chain1: 0, <---> nucl2: 100, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 100
nucl1: 3, chain1: 0, <---> nucl2: 102, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 102
nucl1: 2, chain1: 0, <---> nucl2: 103, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 103
nucl1: 1, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 0, chain1: 0, <---> nucl2: 105, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 105
nucl1: 106, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 106, chainIndex_2: 0, nuclIndex_2: 107
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 108.000000 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/8syk_A-e168fb10/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8syk_A-e168fb10/inputs/seq.fa: 1
curr_seq: _CAGGUACAUCCAGCUGAUGAGUCCCAAAUAGGACAAAAAGGGAGAGGUGAAGAAUACGACCACCUAGGCUCGAAAGAGCCUAAAACAUACCCUUCCUGGAUUCCUGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGGUACAUCCAGCUGAUGAGUCCCAAAUAGGACAAAAAGGGAGAGGUGAAGAAUACGACCACCUAGGCUCGAAAGAGCCUAAAACAUACCCUUCCUGGAUUCCUGCG
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 108 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: 545
n_atoms_counter: 545
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _((((...(((((((....).((((......))))...(((((...((((...........))))(((((((....))))))).......))))).)))))).))))()_
nucl1: 13, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 23, chain1: 0, <---> nucl2: 30, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 23, chainIndex_2: 0, nuclIndex_2: 30
nucl1: 22, chain1: 0, <---> nucl2: 31, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 22, chainIndex_2: 0, nuclIndex_2: 31
nucl1: 21, chain1: 0, <---> nucl2: 32, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 21, chainIndex_2: 0, nuclIndex_2: 32
nucl1: 20, chain1: 0, <---> nucl2: 33, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 33
nucl1: 48, chain1: 0, <---> nucl2: 60, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 48, chainIndex_2: 0, nuclIndex_2: 60
nucl1: 47, chain1: 0, <---> nucl2: 61, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 47, chainIndex_2: 0, nuclIndex_2: 61
nucl1: 46, chain1: 0, <---> nucl2: 62, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 46, chainIndex_2: 0, nuclIndex_2: 62
nucl1: 45, chain1: 0, <---> nucl2: 63, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 45, chainIndex_2: 0, nuclIndex_2: 63
nucl1: 70, chain1: 0, <---> nucl2: 75, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 70, chainIndex_2: 0, nuclIndex_2: 75
nucl1: 69, chain1: 0, <---> nucl2: 76, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 76
nucl1: 68, chain1: 0, <---> nucl2: 77, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 77
nucl1: 67, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 67, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 66, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 66, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 65, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 65, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 64, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 64, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 41, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 41, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 40, chain1: 0, <---> nucl2: 90, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 40, chainIndex_2: 0, nuclIndex_2: 90
nucl1: 39, chain1: 0, <---> nucl2: 91, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 39, chainIndex_2: 0, nuclIndex_2: 91
nucl1: 38, chain1: 0, <---> nucl2: 92, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 38, chainIndex_2: 0, nuclIndex_2: 92
nucl1: 37, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 12, chain1: 0, <---> nucl2: 95, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 95
nucl1: 11, chain1: 0, <---> nucl2: 96, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 96
nucl1: 10, chain1: 0, <---> nucl2: 97, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 97
nucl1: 9, chain1: 0, <---> nucl2: 98, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 98
nucl1: 8, chain1: 0, <---> nucl2: 99, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 99
nucl1: 7, chain1: 0, <---> nucl2: 100, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 100
nucl1: 3, chain1: 0, <---> nucl2: 102, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 102
nucl1: 2, chain1: 0, <---> nucl2: 103, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 103
nucl1: 1, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 0, chain1: 0, <---> nucl2: 105, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 105
nucl1: 106, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 106, chainIndex_2: 0, nuclIndex_2: 107
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 108.000000 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/8syk_A-e168fb10/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8syk_A-e168fb10/inputs/seq.fa: 1
curr_seq: _CAGGUACAUCCAGCUGAUGAGUCCCAAAUAGGACAAAAAGGGAGAGGUGAAGAAUACGACCACCUAGGCUCGAAAGAGCCUAAAACAUACCCUUCCUGGAUUCCUGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGGUACAUCCAGCUGAUGAGUCCCAAAUAGGACAAAAAGGGAGAGGUGAAGAAUACGACCACCUAGGCUCGAAAGAGCCUAAAACAUACCCUUCCUGGAUUCCUGCG
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 108 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: 545
n_atoms_counter: 545
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _((((...(((((((....).((((......))))...(((((...((((...........))))(((((((....))))))).......))))).)))))).))))()_
nucl1: 13, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 23, chain1: 0, <---> nucl2: 30, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 23, chainIndex_2: 0, nuclIndex_2: 30
nucl1: 22, chain1: 0, <---> nucl2: 31, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 22, chainIndex_2: 0, nuclIndex_2: 31
nucl1: 21, chain1: 0, <---> nucl2: 32, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 21, chainIndex_2: 0, nuclIndex_2: 32
nucl1: 20, chain1: 0, <---> nucl2: 33, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 33
nucl1: 48, chain1: 0, <---> nucl2: 60, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 48, chainIndex_2: 0, nuclIndex_2: 60
nucl1: 47, chain1: 0, <---> nucl2: 61, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 47, chainIndex_2: 0, nuclIndex_2: 61
nucl1: 46, chain1: 0, <---> nucl2: 62, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 46, chainIndex_2: 0, nuclIndex_2: 62
nucl1: 45, chain1: 0, <---> nucl2: 63, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 45, chainIndex_2: 0, nuclIndex_2: 63
nucl1: 70, chain1: 0, <---> nucl2: 75, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 70, chainIndex_2: 0, nuclIndex_2: 75
nucl1: 69, chain1: 0, <---> nucl2: 76, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 76
nucl1: 68, chain1: 0, <---> nucl2: 77, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 77
nucl1: 67, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 67, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 66, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 66, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 65, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 65, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 64, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 64, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 41, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 41, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 40, chain1: 0, <---> nucl2: 90, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 40, chainIndex_2: 0, nuclIndex_2: 90
nucl1: 39, chain1: 0, <---> nucl2: 91, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 39, chainIndex_2: 0, nuclIndex_2: 91
nucl1: 38, chain1: 0, <---> nucl2: 92, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 38, chainIndex_2: 0, nuclIndex_2: 92
nucl1: 37, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 12, chain1: 0, <---> nucl2: 95, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 95
nucl1: 11, chain1: 0, <---> nucl2: 96, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 96
nucl1: 10, chain1: 0, <---> nucl2: 97, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 97
nucl1: 9, chain1: 0, <---> nucl2: 98, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 98
nucl1: 8, chain1: 0, <---> nucl2: 99, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 99
nucl1: 7, chain1: 0, <---> nucl2: 100, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 100
nucl1: 3, chain1: 0, <---> nucl2: 102, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 102
nucl1: 2, chain1: 0, <---> nucl2: 103, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 103
nucl1: 1, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 0, chain1: 0, <---> nucl2: 105, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 105
nucl1: 106, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 106, chainIndex_2: 0, nuclIndex_2: 107
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 108.000000 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/8syk_A-e168fb10/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8syk_A-e168fb10/inputs/seq.fa: 1
curr_seq: _CAGGUACAUCCAGCUGAUGAGUCCCAAAUAGGACAAAAAGGGAGAGGUGAAGAAUACGACCACCUAGGCUCGAAAGAGCCUAAAACAUACCCUUCCUGGAUUCCUGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGGUACAUCCAGCUGAUGAGUCCCAAAUAGGACAAAAAGGGAGAGGUGAAGAAUACGACCACCUAGGCUCGAAAGAGCCUAAAACAUACCCUUCCUGGAUUCCUGCG
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 108 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: 545
n_atoms_counter: 545
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _((((...(((((((....).((((......))))...(((((...((((...........))))(((((((....))))))).......))))).)))))).))))()_
nucl1: 13, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 23, chain1: 0, <---> nucl2: 30, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 23, chainIndex_2: 0, nuclIndex_2: 30
nucl1: 22, chain1: 0, <---> nucl2: 31, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 22, chainIndex_2: 0, nuclIndex_2: 31
nucl1: 21, chain1: 0, <---> nucl2: 32, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 21, chainIndex_2: 0, nuclIndex_2: 32
nucl1: 20, chain1: 0, <---> nucl2: 33, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 33
nucl1: 48, chain1: 0, <---> nucl2: 60, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 48, chainIndex_2: 0, nuclIndex_2: 60
nucl1: 47, chain1: 0, <---> nucl2: 61, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 47, chainIndex_2: 0, nuclIndex_2: 61
nucl1: 46, chain1: 0, <---> nucl2: 62, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 46, chainIndex_2: 0, nuclIndex_2: 62
nucl1: 45, chain1: 0, <---> nucl2: 63, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 45, chainIndex_2: 0, nuclIndex_2: 63
nucl1: 70, chain1: 0, <---> nucl2: 75, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 70, chainIndex_2: 0, nuclIndex_2: 75
nucl1: 69, chain1: 0, <---> nucl2: 76, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 76
nucl1: 68, chain1: 0, <---> nucl2: 77, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 77
nucl1: 67, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 67, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 66, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 66, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 65, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 65, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 64, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 64, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 41, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 41, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 40, chain1: 0, <---> nucl2: 90, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 40, chainIndex_2: 0, nuclIndex_2: 90
nucl1: 39, chain1: 0, <---> nucl2: 91, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 39, chainIndex_2: 0, nuclIndex_2: 91
nucl1: 38, chain1: 0, <---> nucl2: 92, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 38, chainIndex_2: 0, nuclIndex_2: 92
nucl1: 37, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 12, chain1: 0, <---> nucl2: 95, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 95
nucl1: 11, chain1: 0, <---> nucl2: 96, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 96
nucl1: 10, chain1: 0, <---> nucl2: 97, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 97
nucl1: 9, chain1: 0, <---> nucl2: 98, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 98
nucl1: 8, chain1: 0, <---> nucl2: 99, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 99
nucl1: 7, chain1: 0, <---> nucl2: 100, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 100
nucl1: 3, chain1: 0, <---> nucl2: 102, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 102
nucl1: 2, chain1: 0, <---> nucl2: 103, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 103
nucl1: 1, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 0, chain1: 0, <---> nucl2: 105, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 105
nucl1: 106, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 106, chainIndex_2: 0, nuclIndex_2: 107
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 108.000000 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/8syk_A-e168fb10/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8syk_A-e168fb10/inputs/seq.fa: 1
curr_seq: _CAGGUACAUCCAGCUGAUGAGUCCCAAAUAGGACAAAAAGGGAGAGGUGAAGAAUACGACCACCUAGGCUCGAAAGAGCCUAAAACAUACCCUUCCUGGAUUCCUGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGGUACAUCCAGCUGAUGAGUCCCAAAUAGGACAAAAAGGGAGAGGUGAAGAAUACGACCACCUAGGCUCGAAAGAGCCUAAAACAUACCCUUCCUGGAUUCCUGCG
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 108 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: 545
n_atoms_counter: 545
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _((((...(((((((....).((((......))))...(((((...((((...........))))(((((((....))))))).......))))).)))))).))))()_
nucl1: 13, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 23, chain1: 0, <---> nucl2: 30, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 23, chainIndex_2: 0, nuclIndex_2: 30
nucl1: 22, chain1: 0, <---> nucl2: 31, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 22, chainIndex_2: 0, nuclIndex_2: 31
nucl1: 21, chain1: 0, <---> nucl2: 32, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 21, chainIndex_2: 0, nuclIndex_2: 32
nucl1: 20, chain1: 0, <---> nucl2: 33, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 33
nucl1: 48, chain1: 0, <---> nucl2: 60, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 48, chainIndex_2: 0, nuclIndex_2: 60
nucl1: 47, chain1: 0, <---> nucl2: 61, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 47, chainIndex_2: 0, nuclIndex_2: 61
nucl1: 46, chain1: 0, <---> nucl2: 62, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 46, chainIndex_2: 0, nuclIndex_2: 62
nucl1: 45, chain1: 0, <---> nucl2: 63, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 45, chainIndex_2: 0, nuclIndex_2: 63
nucl1: 70, chain1: 0, <---> nucl2: 75, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 70, chainIndex_2: 0, nuclIndex_2: 75
nucl1: 69, chain1: 0, <---> nucl2: 76, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 76
nucl1: 68, chain1: 0, <---> nucl2: 77, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 77
nucl1: 67, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 67, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 66, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 66, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 65, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 65, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 64, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 64, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 41, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 41, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 40, chain1: 0, <---> nucl2: 90, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 40, chainIndex_2: 0, nuclIndex_2: 90
nucl1: 39, chain1: 0, <---> nucl2: 91, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 39, chainIndex_2: 0, nuclIndex_2: 91
nucl1: 38, chain1: 0, <---> nucl2: 92, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 38, chainIndex_2: 0, nuclIndex_2: 92
nucl1: 37, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 12, chain1: 0, <---> nucl2: 95, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 95
nucl1: 11, chain1: 0, <---> nucl2: 96, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 96
nucl1: 10, chain1: 0, <---> nucl2: 97, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 97
nucl1: 9, chain1: 0, <---> nucl2: 98, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 98
nucl1: 8, chain1: 0, <---> nucl2: 99, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 99
nucl1: 7, chain1: 0, <---> nucl2: 100, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 100
nucl1: 3, chain1: 0, <---> nucl2: 102, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 102
nucl1: 2, chain1: 0, <---> nucl2: 103, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 103
nucl1: 1, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 0, chain1: 0, <---> nucl2: 105, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 105
nucl1: 106, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 106, chainIndex_2: 0, nuclIndex_2: 107
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 108.000000 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/8syk_A-e168fb10/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8syk_A-e168fb10/inputs/seq.fa: 1
curr_seq: _CAGGUACAUCCAGCUGAUGAGUCCCAAAUAGGACAAAAAGGGAGAGGUGAAGAAUACGACCACCUAGGCUCGAAAGAGCCUAAAACAUACCCUUCCUGGAUUCCUGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGGUACAUCCAGCUGAUGAGUCCCAAAUAGGACAAAAAGGGAGAGGUGAAGAAUACGACCACCUAGGCUCGAAAGAGCCUAAAACAUACCCUUCCUGGAUUCCUGCG
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 108 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: 545
n_atoms_counter: 545
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _((((...(((((((....).((((......))))...(((((...((((...........))))(((((((....))))))).......))))).)))))).))))()_
nucl1: 13, chain1: 0, <---> nucl2: 18, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 18
nucl1: 23, chain1: 0, <---> nucl2: 30, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 23, chainIndex_2: 0, nuclIndex_2: 30
nucl1: 22, chain1: 0, <---> nucl2: 31, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 22, chainIndex_2: 0, nuclIndex_2: 31
nucl1: 21, chain1: 0, <---> nucl2: 32, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 21, chainIndex_2: 0, nuclIndex_2: 32
nucl1: 20, chain1: 0, <---> nucl2: 33, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 33
nucl1: 48, chain1: 0, <---> nucl2: 60, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 48, chainIndex_2: 0, nuclIndex_2: 60
nucl1: 47, chain1: 0, <---> nucl2: 61, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 47, chainIndex_2: 0, nuclIndex_2: 61
nucl1: 46, chain1: 0, <---> nucl2: 62, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 46, chainIndex_2: 0, nuclIndex_2: 62
nucl1: 45, chain1: 0, <---> nucl2: 63, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 45, chainIndex_2: 0, nuclIndex_2: 63
nucl1: 70, chain1: 0, <---> nucl2: 75, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 70, chainIndex_2: 0, nuclIndex_2: 75
nucl1: 69, chain1: 0, <---> nucl2: 76, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 76
nucl1: 68, chain1: 0, <---> nucl2: 77, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 77
nucl1: 67, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 67, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 66, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 66, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 65, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 65, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 64, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 64, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 41, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 41, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 40, chain1: 0, <---> nucl2: 90, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 40, chainIndex_2: 0, nuclIndex_2: 90
nucl1: 39, chain1: 0, <---> nucl2: 91, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 39, chainIndex_2: 0, nuclIndex_2: 91
nucl1: 38, chain1: 0, <---> nucl2: 92, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 38, chainIndex_2: 0, nuclIndex_2: 92
nucl1: 37, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 12, chain1: 0, <---> nucl2: 95, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 95
nucl1: 11, chain1: 0, <---> nucl2: 96, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 96
nucl1: 10, chain1: 0, <---> nucl2: 97, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 97
nucl1: 9, chain1: 0, <---> nucl2: 98, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 98
nucl1: 8, chain1: 0, <---> nucl2: 99, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2: 99
nucl1: 7, chain1: 0, <---> nucl2: 100, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 100
nucl1: 3, chain1: 0, <---> nucl2: 102, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 102
nucl1: 2, chain1: 0, <---> nucl2: 103, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 103
nucl1: 1, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 0, chain1: 0, <---> nucl2: 105, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 105
nucl1: 106, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 106, chainIndex_2: 0, nuclIndex_2: 107
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 108.000000 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: 1504.473015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 1504.473015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.462930 (E_RNA)
where:
Base-Base interactions energy: -18.896
where: short stacking energy: -18.896
Base-Backbone interact. energy: -0.000
local terms energy: -420.566517
where:
bonds (distance) C4'-P energy: -104.930
bonds (distance) P-C4' energy: -97.517
flat angles C4'-P-C4' energy: -79.296
flat angles P-C4'-P energy: -90.706
tors. eta vs tors. theta energy: -48.116
Dist. restrs. and SS energy: 1943.936 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: 1504.473015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 1504.473015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.462930 (E_RNA)
where:
Base-Base interactions energy: -18.896
where: short stacking energy: -18.896
Base-Backbone interact. energy: -0.000
local terms energy: -420.566517
where:
bonds (distance) C4'-P energy: -104.930
bonds (distance) P-C4' energy: -97.517
flat angles C4'-P-C4' energy: -79.296
flat angles P-C4'-P energy: -90.706
tors. eta vs tors. theta energy: -48.116
Dist. restrs. and SS energy: 1943.936 (S_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: 1504.473015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 1504.473015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.462930 (E_RNA)
where:
Base-Base interactions energy: -18.896
where: short stacking energy: -18.896
Base-Backbone interact. energy: -0.000
local terms energy: -420.566517
where:
bonds (distance) C4'-P energy: -104.930
bonds (distance) P-C4' energy: -97.517
flat angles C4'-P-C4' energy: -79.296
flat angles P-C4'-P energy: -90.706
tors. eta vs tors. theta energy: -48.116
Dist. restrs. and SS energy: 1943.936 (S_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: 1504.473015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 1504.473015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.462930 (E_RNA)
where:
Base-Base interactions energy: -18.896
where: short stacking energy: -18.896
Base-Backbone interact. energy: -0.000
local terms energy: -420.566517
where:
bonds (distance) C4'-P energy: -104.930
bonds (distance) P-C4' energy: -97.517
flat angles C4'-P-C4' energy: -79.296
flat angles P-C4'-P energy: -90.706
tors. eta vs tors. theta energy: -48.116
Dist. restrs. and SS energy: 1943.936 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: 1504.473015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 1504.473015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.462930 (E_RNA)
where:
Base-Base interactions energy: -18.896
where: short stacking energy: -18.896
Base-Backbone interact. energy: -0.000
local terms energy: -420.566517
where:
bonds (distance) C4'-P energy: -104.930
bonds (distance) P-C4' energy: -97.517
flat angles C4'-P-C4' energy: -79.296
flat angles P-C4'-P energy: -90.706
tors. eta vs tors. theta energy: -48.116
Dist. restrs. and SS energy: 1943.936 (S_DIST_RNA)
chem. 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: 1504.473015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 1504.473015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.462930 (E_RNA)
where:
Base-Base interactions energy: -18.896
where: short stacking energy: -18.896
Base-Backbone interact. energy: -0.000
local terms energy: -420.566517
where:
bonds (distance) C4'-P energy: -104.930
bonds (distance) P-C4' energy: -97.517
flat angles C4'-P-C4' energy: -79.296
flat angles P-C4'-P energy: -90.706
tors. eta vs tors. theta energy: -48.116
Dist. restrs. and SS energy: 1943.936 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: 1504.473015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 1504.473015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.462930 (E_RNA)
where:
Base-Base interactions energy: -18.896
where: short stacking energy: -18.896
Base-Backbone interact. energy: -0.000
local terms energy: -420.566517
where:
bonds (distance) C4'-P energy: -104.930
bonds (distance) P-C4' energy: -97.517
flat angles C4'-P-C4' energy: -79.296
flat angles P-C4'-P energy: -90.706
tors. eta vs tors. theta energy: -48.116
Dist. restrs. and SS energy: 1943.936 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: 1504.473015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 1504.473015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.462930 (E_RNA)
where:
Base-Base interactions energy: -18.896
where: short stacking energy: -18.896
Base-Backbone interact. energy: -0.000
local terms energy: -420.566517
where:
bonds (distance) C4'-P energy: -104.930
bonds (distance) P-C4' energy: -97.517
flat angles C4'-P-C4' energy: -79.296
flat angles P-C4'-P energy: -90.706
tors. eta vs tors. theta energy: -48.116
Dist. restrs. and SS energy: 1943.936 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: 1504.473015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 1504.473015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.462930 (E_RNA)
where:
Base-Base interactions energy: -18.896
where: short stacking energy: -18.896
Base-Backbone interact. energy: -0.000
local terms energy: -420.566517
where:
bonds (distance) C4'-P energy: -104.930
bonds (distance) P-C4' energy: -97.517
flat angles C4'-P-C4' energy: -79.296
flat angles P-C4'-P energy: -90.706
tors. eta vs tors. theta energy: -48.116
Dist. restrs. and SS energy: 1943.936 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: 1504.473015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 1504.473015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.462930 (E_RNA)
where:
Base-Base interactions energy: -18.896
where: short stacking energy: -18.896
Base-Backbone interact. energy: -0.000
local terms energy: -420.566517
where:
bonds (distance) C4'-P energy: -104.930
bonds (distance) P-C4' energy: -97.517
flat angles C4'-P-C4' energy: -79.296
flat angles P-C4'-P energy: -90.706
tors. eta vs tors. theta energy: -48.116
Dist. restrs. and SS energy: 1943.936 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -762.609986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.609986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.887190 (E_RNA)
where:
Base-Base interactions energy: -514.936
where: short stacking energy: -227.107
Base-Backbone interact. energy: -1.580
local terms energy: -307.371598
where:
bonds (distance) C4'-P energy: -71.959
bonds (distance) P-C4' energy: -67.675
flat angles C4'-P-C4' energy: -73.422
flat angles P-C4'-P energy: -41.872
tors. eta vs tors. theta energy: -52.444
Dist. restrs. and SS energy: 61.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -803.542015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.542015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.409898 (E_RNA)
where:
Base-Base interactions energy: -525.572
where: short stacking energy: -224.248
Base-Backbone interact. energy: -0.982
local terms energy: -306.855835
where:
bonds (distance) C4'-P energy: -57.448
bonds (distance) P-C4' energy: -73.862
flat angles C4'-P-C4' energy: -69.180
flat angles P-C4'-P energy: -48.890
tors. eta vs tors. theta energy: -57.476
Dist. restrs. and SS energy: 29.868 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -789.269289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.269289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.095367 (E_RNA)
where:
Base-Base interactions energy: -541.266
where: short stacking energy: -235.101
Base-Backbone interact. energy: -0.150
local terms energy: -275.679654
where:
bonds (distance) C4'-P energy: -45.515
bonds (distance) P-C4' energy: -74.206
flat angles C4'-P-C4' energy: -66.923
flat angles P-C4'-P energy: -45.167
tors. eta vs tors. theta energy: -43.868
Dist. restrs. and SS energy: 27.826 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -739.317717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.317717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.680312 (E_RNA)
where:
Base-Base interactions energy: -497.184
where: short stacking energy: -197.076
Base-Backbone interact. energy: -2.510
local terms energy: -258.986040
where:
bonds (distance) C4'-P energy: -61.324
bonds (distance) P-C4' energy: -58.038
flat angles C4'-P-C4' energy: -59.002
flat angles P-C4'-P energy: -37.698
tors. eta vs tors. theta energy: -42.925
Dist. restrs. and SS energy: 19.363 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -856.599360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.599360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.180131 (E_RNA)
where:
Base-Base interactions energy: -579.100
where: short stacking energy: -239.825
Base-Backbone interact. energy: -0.986
local terms energy: -287.094441
where:
bonds (distance) C4'-P energy: -59.296
bonds (distance) P-C4' energy: -62.722
flat angles C4'-P-C4' energy: -70.757
flat angles P-C4'-P energy: -36.632
tors. eta vs tors. theta energy: -57.688
Dist. restrs. and SS energy: 10.581 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -767.374799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.374799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.309376 (E_RNA)
where:
Base-Base interactions energy: -543.487
where: short stacking energy: -224.641
Base-Backbone interact. energy: -0.363
local terms energy: -248.459867
where:
bonds (distance) C4'-P energy: -49.081
bonds (distance) P-C4' energy: -61.753
flat angles C4'-P-C4' energy: -56.552
flat angles P-C4'-P energy: -27.295
tors. eta vs tors. theta energy: -53.780
Dist. restrs. and SS energy: 24.935 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -612.497914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.497914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.360526 (E_RNA)
where:
Base-Base interactions energy: -420.699
where: short stacking energy: -182.934
Base-Backbone interact. energy: -0.340
local terms energy: -254.320884
where:
bonds (distance) C4'-P energy: -58.879
bonds (distance) P-C4' energy: -62.229
flat angles C4'-P-C4' energy: -57.014
flat angles P-C4'-P energy: -32.190
tors. eta vs tors. theta energy: -44.008
Dist. restrs. and SS energy: 62.863 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -771.154787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.154787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.697505 (E_RNA)
where:
Base-Base interactions energy: -523.545
where: short stacking energy: -205.025
Base-Backbone interact. energy: 1.104
local terms energy: -260.256399
where:
bonds (distance) C4'-P energy: -52.899
bonds (distance) P-C4' energy: -54.829
flat angles C4'-P-C4' energy: -69.856
flat angles P-C4'-P energy: -39.438
tors. eta vs tors. theta energy: -43.234
Dist. restrs. and SS energy: 11.543 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -581.745589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.745589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.319469 (E_RNA)
where:
Base-Base interactions energy: -362.787
where: short stacking energy: -151.560
Base-Backbone interact. energy: -0.921
local terms energy: -237.611851
where:
bonds (distance) C4'-P energy: -66.653
bonds (distance) P-C4' energy: -60.268
flat angles C4'-P-C4' energy: -46.748
flat angles P-C4'-P energy: -33.069
tors. eta vs tors. theta energy: -30.874
Dist. restrs. and SS energy: 19.574 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -681.575565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.575565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.035907 (E_RNA)
where:
Base-Base interactions energy: -504.429
where: short stacking energy: -200.248
Base-Backbone interact. energy: 3.832
local terms energy: -195.438874
where:
bonds (distance) C4'-P energy: -34.172
bonds (distance) P-C4' energy: -52.714
flat angles C4'-P-C4' energy: -48.784
flat angles P-C4'-P energy: -27.936
tors. eta vs tors. theta energy: -31.834
Dist. restrs. and SS energy: 14.460 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -875.069487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.069487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.638637 (E_RNA)
where:
Base-Base interactions energy: -566.504
where: short stacking energy: -238.218
Base-Backbone interact. energy: -1.471
local terms energy: -323.664150
where:
bonds (distance) C4'-P energy: -73.139
bonds (distance) P-C4' energy: -78.168
flat angles C4'-P-C4' energy: -73.606
flat angles P-C4'-P energy: -39.004
tors. eta vs tors. theta energy: -59.747
Dist. restrs. and SS energy: 16.569 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -909.799226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.799226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.380402 (E_RNA)
where:
Base-Base interactions energy: -615.077
where: short stacking energy: -257.719
Base-Backbone interact. energy: -2.298
local terms energy: -308.005889
where:
bonds (distance) C4'-P energy: -68.294
bonds (distance) P-C4' energy: -54.076
flat angles C4'-P-C4' energy: -75.298
flat angles P-C4'-P energy: -51.097
tors. eta vs tors. theta energy: -59.241
Dist. restrs. and SS energy: 15.581 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -830.145839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.145839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.339147 (E_RNA)
where:
Base-Base interactions energy: -565.411
where: short stacking energy: -216.385
Base-Backbone interact. energy: -0.436
local terms energy: -279.492024
where:
bonds (distance) C4'-P energy: -64.392
bonds (distance) P-C4' energy: -60.480
flat angles C4'-P-C4' energy: -74.906
flat angles P-C4'-P energy: -32.092
tors. eta vs tors. theta energy: -47.622
Dist. restrs. and SS energy: 15.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -939.631185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.631185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.550019 (E_RNA)
where:
Base-Base interactions energy: -658.093
where: short stacking energy: -275.093
Base-Backbone interact. energy: -0.350
local terms energy: -292.106806
where:
bonds (distance) C4'-P energy: -61.413
bonds (distance) P-C4' energy: -61.054
flat angles C4'-P-C4' energy: -60.140
flat angles P-C4'-P energy: -43.541
tors. eta vs tors. theta energy: -65.958
Dist. restrs. and SS energy: 10.919 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -805.303090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.303090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.721837 (E_RNA)
where:
Base-Base interactions energy: -572.356
where: short stacking energy: -205.826
Base-Backbone interact. energy: -0.813
local terms energy: -240.552643
where:
bonds (distance) C4'-P energy: -65.811
bonds (distance) P-C4' energy: -56.163
flat angles C4'-P-C4' energy: -44.288
flat angles P-C4'-P energy: -38.785
tors. eta vs tors. theta energy: -35.506
Dist. restrs. and SS energy: 8.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -839.024483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.024483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.293455 (E_RNA)
where:
Base-Base interactions energy: -581.594
where: short stacking energy: -238.846
Base-Backbone interact. energy: 0.656
local terms energy: -269.355333
where:
bonds (distance) C4'-P energy: -60.493
bonds (distance) P-C4' energy: -48.985
flat angles C4'-P-C4' energy: -55.950
flat angles P-C4'-P energy: -41.247
tors. eta vs tors. theta energy: -62.679
Dist. restrs. and SS energy: 11.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -788.075855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.075855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.976035 (E_RNA)
where:
Base-Base interactions energy: -543.120
where: short stacking energy: -202.009
Base-Backbone interact. energy: -2.704
local terms energy: -259.152460
where:
bonds (distance) C4'-P energy: -57.354
bonds (distance) P-C4' energy: -59.877
flat angles C4'-P-C4' energy: -55.054
flat angles P-C4'-P energy: -37.204
tors. eta vs tors. theta energy: -49.664
Dist. restrs. and SS energy: 16.900 (S_DIST_RNA)
chem. 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: -776.419533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.419533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.149000 (E_RNA)
where:
Base-Base interactions energy: -534.427
where: short stacking energy: -209.909
Base-Backbone interact. energy: -0.513
local terms energy: -253.208910
where:
bonds (distance) C4'-P energy: -42.755
bonds (distance) P-C4' energy: -53.918
flat angles C4'-P-C4' energy: -55.198
flat angles P-C4'-P energy: -47.467
tors. eta vs tors. theta energy: -53.871
Dist. restrs. and SS energy: 11.729 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -615.598118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.598118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.229894 (E_RNA)
where:
Base-Base interactions energy: -421.794
where: short stacking energy: -165.608
Base-Backbone interact. energy: -3.458
local terms energy: -228.977296
where:
bonds (distance) C4'-P energy: -49.009
bonds (distance) P-C4' energy: -49.701
flat angles C4'-P-C4' energy: -68.521
flat angles P-C4'-P energy: -31.060
tors. eta vs tors. theta energy: -30.686
Dist. restrs. and SS energy: 38.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -761.343003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.343003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.449685 (E_RNA)
where:
Base-Base interactions energy: -543.710
where: short stacking energy: -202.152
Base-Backbone interact. energy: 0.511
local terms energy: -230.250340
where:
bonds (distance) C4'-P energy: -54.273
bonds (distance) P-C4' energy: -49.308
flat angles C4'-P-C4' energy: -57.017
flat angles P-C4'-P energy: -27.776
tors. eta vs tors. theta energy: -41.876
Dist. restrs. and SS energy: 12.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -974.074448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.074448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.543050 (E_RNA)
where:
Base-Base interactions energy: -671.018
where: short stacking energy: -282.511
Base-Backbone interact. energy: -0.259
local terms energy: -314.265527
where:
bonds (distance) C4'-P energy: -72.060
bonds (distance) P-C4' energy: -63.174
flat angles C4'-P-C4' energy: -72.860
flat angles P-C4'-P energy: -42.822
tors. eta vs tors. theta energy: -63.350
Dist. restrs. and SS energy: 11.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -897.847238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.847238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.555987 (E_RNA)
where:
Base-Base interactions energy: -609.391
where: short stacking energy: -273.037
Base-Backbone interact. energy: -1.505
local terms energy: -303.659152
where:
bonds (distance) C4'-P energy: -62.768
bonds (distance) P-C4' energy: -64.382
flat angles C4'-P-C4' energy: -64.535
flat angles P-C4'-P energy: -44.060
tors. eta vs tors. theta energy: -67.914
Dist. restrs. and SS energy: 16.709 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -983.491520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.491520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.764964 (E_RNA)
where:
Base-Base interactions energy: -671.003
where: short stacking energy: -283.104
Base-Backbone interact. energy: -0.693
local terms energy: -324.068453
where:
bonds (distance) C4'-P energy: -63.234
bonds (distance) P-C4' energy: -70.998
flat angles C4'-P-C4' energy: -67.900
flat angles P-C4'-P energy: -55.139
tors. eta vs tors. theta energy: -66.797
Dist. restrs. and SS energy: 12.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -860.849067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.849067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.195774 (E_RNA)
where:
Base-Base interactions energy: -603.008
where: short stacking energy: -231.353
Base-Backbone interact. energy: 0.234
local terms energy: -267.421988
where:
bonds (distance) C4'-P energy: -67.018
bonds (distance) P-C4' energy: -66.045
flat angles C4'-P-C4' energy: -59.392
flat angles P-C4'-P energy: -33.979
tors. eta vs tors. theta energy: -40.987
Dist. restrs. and SS energy: 9.347 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -896.228832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.228832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.674830 (E_RNA)
where:
Base-Base interactions energy: -629.607
where: short stacking energy: -250.219
Base-Backbone interact. energy: -1.338
local terms energy: -269.729954
where:
bonds (distance) C4'-P energy: -52.982
bonds (distance) P-C4' energy: -60.917
flat angles C4'-P-C4' energy: -65.595
flat angles P-C4'-P energy: -34.699
tors. eta vs tors. theta energy: -55.537
Dist. restrs. and SS energy: 4.446 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -833.505678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.505678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.452109 (E_RNA)
where:
Base-Base interactions energy: -590.883
where: short stacking energy: -251.916
Base-Backbone interact. energy: -2.439
local terms energy: -251.130490
where:
bonds (distance) C4'-P energy: -53.430
bonds (distance) P-C4' energy: -54.965
flat angles C4'-P-C4' energy: -51.844
flat angles P-C4'-P energy: -34.235
tors. eta vs tors. theta energy: -56.657
Dist. restrs. and SS energy: 10.946 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -799.898522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.898522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.904606 (E_RNA)
where:
Base-Base interactions energy: -560.699
where: short stacking energy: -209.431
Base-Backbone interact. energy: 0.266
local terms energy: -251.472566
where:
bonds (distance) C4'-P energy: -59.086
bonds (distance) P-C4' energy: -56.578
flat angles C4'-P-C4' energy: -56.700
flat angles P-C4'-P energy: -34.033
tors. eta vs tors. theta energy: -45.075
Dist. restrs. and SS energy: 12.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -850.396797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.396797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.475507 (E_RNA)
where:
Base-Base interactions energy: -586.271
where: short stacking energy: -235.068
Base-Backbone interact. energy: -1.215
local terms energy: -271.989540
where:
bonds (distance) C4'-P energy: -63.176
bonds (distance) P-C4' energy: -45.024
flat angles C4'-P-C4' energy: -60.810
flat angles P-C4'-P energy: -37.840
tors. eta vs tors. theta energy: -65.140
Dist. restrs. and SS energy: 9.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -814.703200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.703200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.174762 (E_RNA)
where:
Base-Base interactions energy: -587.440
where: short stacking energy: -235.598
Base-Backbone interact. energy: -1.038
local terms energy: -234.697098
where:
bonds (distance) C4'-P energy: -51.337
bonds (distance) P-C4' energy: -48.775
flat angles C4'-P-C4' energy: -52.909
flat angles P-C4'-P energy: -29.190
tors. eta vs tors. theta energy: -52.487
Dist. restrs. and SS energy: 8.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -670.108078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.108078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.069985 (E_RNA)
where:
Base-Base interactions energy: -464.055
where: short stacking energy: -188.639
Base-Backbone interact. energy: 0.163
local terms energy: -224.178031
where:
bonds (distance) C4'-P energy: -56.882
bonds (distance) P-C4' energy: -40.682
flat angles C4'-P-C4' energy: -55.970
flat angles P-C4'-P energy: -40.615
tors. eta vs tors. theta energy: -30.028
Dist. restrs. and SS energy: 17.962 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -1070.635131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.635131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.201542 (E_RNA)
where:
Base-Base interactions energy: -757.492
where: short stacking energy: -311.059
Base-Backbone interact. energy: -1.993
local terms energy: -319.716274
where:
bonds (distance) C4'-P energy: -60.656
bonds (distance) P-C4' energy: -74.036
flat angles C4'-P-C4' energy: -63.698
flat angles P-C4'-P energy: -45.231
tors. eta vs tors. theta energy: -76.095
Dist. restrs. and SS energy: 8.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -1058.370027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.370027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.181650 (E_RNA)
where:
Base-Base interactions energy: -732.437
where: short stacking energy: -296.445
Base-Backbone interact. energy: -0.830
local terms energy: -336.915059
where:
bonds (distance) C4'-P energy: -74.502
bonds (distance) P-C4' energy: -66.925
flat angles C4'-P-C4' energy: -72.086
flat angles P-C4'-P energy: -51.474
tors. eta vs tors. theta energy: -71.928
Dist. restrs. and SS energy: 11.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -867.204718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.204718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.472047 (E_RNA)
where:
Base-Base interactions energy: -579.358
where: short stacking energy: -245.890
Base-Backbone interact. energy: -3.542
local terms energy: -299.572077
where:
bonds (distance) C4'-P energy: -58.924
bonds (distance) P-C4' energy: -75.016
flat angles C4'-P-C4' energy: -63.185
flat angles P-C4'-P energy: -40.236
tors. eta vs tors. theta energy: -62.212
Dist. restrs. and SS energy: 15.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -870.067438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.067438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.588716 (E_RNA)
where:
Base-Base interactions energy: -615.130
where: short stacking energy: -229.608
Base-Backbone interact. energy: -0.065
local terms energy: -261.393716
where:
bonds (distance) C4'-P energy: -55.392
bonds (distance) P-C4' energy: -60.847
flat angles C4'-P-C4' energy: -65.007
flat angles P-C4'-P energy: -32.319
tors. eta vs tors. theta energy: -47.829
Dist. restrs. and SS energy: 6.521 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -927.987236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.987236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.765989 (E_RNA)
where:
Base-Base interactions energy: -628.309
where: short stacking energy: -268.033
Base-Backbone interact. energy: -1.293
local terms energy: -309.163471
where:
bonds (distance) C4'-P energy: -57.658
bonds (distance) P-C4' energy: -71.842
flat angles C4'-P-C4' energy: -67.665
flat angles P-C4'-P energy: -42.973
tors. eta vs tors. theta energy: -69.026
Dist. restrs. and SS energy: 10.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -840.638002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.638002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.442008 (E_RNA)
where:
Base-Base interactions energy: -592.793
where: short stacking energy: -236.951
Base-Backbone interact. energy: -1.649
local terms energy: -259.000347
where:
bonds (distance) C4'-P energy: -53.486
bonds (distance) P-C4' energy: -62.629
flat angles C4'-P-C4' energy: -49.886
flat angles P-C4'-P energy: -36.270
tors. eta vs tors. theta energy: -56.730
Dist. restrs. and SS energy: 12.804 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -832.525738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.525738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.094896 (E_RNA)
where:
Base-Base interactions energy: -591.832
where: short stacking energy: -241.543
Base-Backbone interact. energy: 0.862
local terms energy: -255.124178
where:
bonds (distance) C4'-P energy: -56.533
bonds (distance) P-C4' energy: -50.564
flat angles C4'-P-C4' energy: -55.886
flat angles P-C4'-P energy: -41.226
tors. eta vs tors. theta energy: -50.915
Dist. restrs. and SS energy: 13.569 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -825.225904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.225904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.060843 (E_RNA)
where:
Base-Base interactions energy: -570.677
where: short stacking energy: -233.369
Base-Backbone interact. energy: 0.806
local terms energy: -267.190692
where:
bonds (distance) C4'-P energy: -35.964
bonds (distance) P-C4' energy: -59.926
flat angles C4'-P-C4' energy: -70.492
flat angles P-C4'-P energy: -46.817
tors. eta vs tors. theta energy: -53.991
Dist. restrs. and SS energy: 11.835 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -822.449507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.449507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.946855 (E_RNA)
where:
Base-Base interactions energy: -577.825
where: short stacking energy: -218.949
Base-Backbone interact. energy: -0.715
local terms energy: -252.406719
where:
bonds (distance) C4'-P energy: -34.078
bonds (distance) P-C4' energy: -62.870
flat angles C4'-P-C4' energy: -67.545
flat angles P-C4'-P energy: -37.845
tors. eta vs tors. theta energy: -50.069
Dist. restrs. and SS energy: 8.497 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -698.265530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.265530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.560399 (E_RNA)
where:
Base-Base interactions energy: -462.090
where: short stacking energy: -181.608
Base-Backbone interact. energy: 4.832
local terms energy: -255.302871
where:
bonds (distance) C4'-P energy: -66.297
bonds (distance) P-C4' energy: -56.913
flat angles C4'-P-C4' energy: -57.700
flat angles P-C4'-P energy: -31.646
tors. eta vs tors. theta energy: -42.747
Dist. restrs. and SS energy: 14.295 (S_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: 6
Temperature: 0.900000
Total energy: -1075.265217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.265217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.864004 (E_RNA)
where:
Base-Base interactions energy: -749.584
where: short stacking energy: -308.080
Base-Backbone interact. energy: -1.125
local terms energy: -332.154872
where:
bonds (distance) C4'-P energy: -68.846
bonds (distance) P-C4' energy: -66.804
flat angles C4'-P-C4' energy: -69.415
flat angles P-C4'-P energy: -47.320
tors. eta vs tors. theta energy: -79.771
Dist. restrs. and SS energy: 7.599 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -1050.596295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.596295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.178039 (E_RNA)
where:
Base-Base interactions energy: -734.202
where: short stacking energy: -314.846
Base-Backbone interact. energy: -1.578
local terms energy: -322.397507
where:
bonds (distance) C4'-P energy: -72.047
bonds (distance) P-C4' energy: -66.580
flat angles C4'-P-C4' energy: -70.729
flat angles P-C4'-P energy: -41.497
tors. eta vs tors. theta energy: -71.545
Dist. restrs. and SS energy: 7.582 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -912.723843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.723843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.081733 (E_RNA)
where:
Base-Base interactions energy: -640.851
where: short stacking energy: -252.205
Base-Backbone interact. energy: -2.915
local terms energy: -278.316318
where:
bonds (distance) C4'-P energy: -61.407
bonds (distance) P-C4' energy: -52.839
flat angles C4'-P-C4' energy: -68.639
flat angles P-C4'-P energy: -43.511
tors. eta vs tors. theta energy: -51.922
Dist. restrs. and SS energy: 9.358 (S_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: 6
Temperature: 1.050000
Total energy: -883.265281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.265281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.732854 (E_RNA)
where:
Base-Base interactions energy: -589.122
where: short stacking energy: -248.626
Base-Backbone interact. energy: 1.339
local terms energy: -304.950377
where:
bonds (distance) C4'-P energy: -65.203
bonds (distance) P-C4' energy: -62.687
flat angles C4'-P-C4' energy: -67.279
flat angles P-C4'-P energy: -41.216
tors. eta vs tors. theta energy: -68.565
Dist. restrs. and SS energy: 9.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -936.934143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.934143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.110625 (E_RNA)
where:
Base-Base interactions energy: -639.078
where: short stacking energy: -262.125
Base-Backbone interact. energy: -0.866
local terms energy: -306.167206
where:
bonds (distance) C4'-P energy: -61.515
bonds (distance) P-C4' energy: -62.789
flat angles C4'-P-C4' energy: -67.147
flat angles P-C4'-P energy: -39.709
tors. eta vs tors. theta energy: -75.006
Dist. restrs. and SS energy: 9.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -877.790849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.790849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.959938 (E_RNA)
where:
Base-Base interactions energy: -623.317
where: short stacking energy: -241.448
Base-Backbone interact. energy: -3.786
local terms energy: -261.857155
where:
bonds (distance) C4'-P energy: -66.420
bonds (distance) P-C4' energy: -57.160
flat angles C4'-P-C4' energy: -56.676
flat angles P-C4'-P energy: -40.494
tors. eta vs tors. theta energy: -41.108
Dist. restrs. and SS energy: 11.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -847.984577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.984577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.648301 (E_RNA)
where:
Base-Base interactions energy: -589.720
where: short stacking energy: -235.989
Base-Backbone interact. energy: -0.907
local terms energy: -269.020324
where:
bonds (distance) C4'-P energy: -66.591
bonds (distance) P-C4' energy: -46.562
flat angles C4'-P-C4' energy: -65.273
flat angles P-C4'-P energy: -35.188
tors. eta vs tors. theta energy: -55.406
Dist. restrs. and SS energy: 11.664 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -815.900602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.900602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.886192 (E_RNA)
where:
Base-Base interactions energy: -564.319
where: short stacking energy: -217.584
Base-Backbone interact. energy: -0.234
local terms energy: -266.333580
where:
bonds (distance) C4'-P energy: -52.094
bonds (distance) P-C4' energy: -61.143
flat angles C4'-P-C4' energy: -59.102
flat angles P-C4'-P energy: -36.071
tors. eta vs tors. theta energy: -57.922
Dist. restrs. and SS energy: 14.986 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -854.709520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.709520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.649160 (E_RNA)
where:
Base-Base interactions energy: -612.445
where: short stacking energy: -237.996
Base-Backbone interact. energy: -1.272
local terms energy: -247.932041
where:
bonds (distance) C4'-P energy: -53.629
bonds (distance) P-C4' energy: -39.912
flat angles C4'-P-C4' energy: -69.601
flat angles P-C4'-P energy: -30.924
tors. eta vs tors. theta energy: -53.866
Dist. restrs. and SS energy: 6.940 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -683.207688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.207688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.711465 (E_RNA)
where:
Base-Base interactions energy: -446.050
where: short stacking energy: -167.717
Base-Backbone interact. energy: -1.055
local terms energy: -254.605749
where:
bonds (distance) C4'-P energy: -63.608
bonds (distance) P-C4' energy: -59.311
flat angles C4'-P-C4' energy: -62.604
flat angles P-C4'-P energy: -37.204
tors. eta vs tors. theta energy: -31.879
Dist. restrs. and SS energy: 18.504 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -1095.933292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.933292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.466778 (E_RNA)
where:
Base-Base interactions energy: -755.654
where: short stacking energy: -321.786
Base-Backbone interact. energy: 1.859
local terms energy: -352.672221
where:
bonds (distance) C4'-P energy: -67.257
bonds (distance) P-C4' energy: -74.876
flat angles C4'-P-C4' energy: -70.137
flat angles P-C4'-P energy: -45.588
tors. eta vs tors. theta energy: -94.815
Dist. restrs. and SS energy: 10.533 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -1065.848409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.848409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.761301 (E_RNA)
where:
Base-Base interactions energy: -745.659
where: short stacking energy: -311.200
Base-Backbone interact. energy: -1.847
local terms energy: -327.255811
where:
bonds (distance) C4'-P energy: -69.134
bonds (distance) P-C4' energy: -66.523
flat angles C4'-P-C4' energy: -69.859
flat angles P-C4'-P energy: -47.711
tors. eta vs tors. theta energy: -74.029
Dist. restrs. and SS energy: 8.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -909.489989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.489989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.320366 (E_RNA)
where:
Base-Base interactions energy: -603.910
where: short stacking energy: -259.249
Base-Backbone interact. energy: -1.699
local terms energy: -311.710732
where:
bonds (distance) C4'-P energy: -65.371
bonds (distance) P-C4' energy: -69.237
flat angles C4'-P-C4' energy: -66.819
flat angles P-C4'-P energy: -45.925
tors. eta vs tors. theta energy: -64.359
Dist. restrs. and SS energy: 7.830 (S_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: -1013.982927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.982927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.698220 (E_RNA)
where:
Base-Base interactions energy: -694.313
where: short stacking energy: -273.392
Base-Backbone interact. energy: 0.514
local terms energy: -324.898537
where:
bonds (distance) C4'-P energy: -66.451
bonds (distance) P-C4' energy: -69.217
flat angles C4'-P-C4' energy: -59.667
flat angles P-C4'-P energy: -52.558
tors. eta vs tors. theta energy: -77.006
Dist. restrs. and SS energy: 4.715 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -877.916102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.916102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.699746 (E_RNA)
where:
Base-Base interactions energy: -596.391
where: short stacking energy: -237.498
Base-Backbone interact. energy: -0.173
local terms energy: -293.135928
where:
bonds (distance) C4'-P energy: -53.563
bonds (distance) P-C4' energy: -67.573
flat angles C4'-P-C4' energy: -63.082
flat angles P-C4'-P energy: -40.675
tors. eta vs tors. theta energy: -68.242
Dist. restrs. and SS energy: 11.784 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -901.356682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.356682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.565010 (E_RNA)
where:
Base-Base interactions energy: -623.143
where: short stacking energy: -263.907
Base-Backbone interact. energy: 0.321
local terms energy: -284.743302
where:
bonds (distance) C4'-P energy: -54.812
bonds (distance) P-C4' energy: -66.201
flat angles C4'-P-C4' energy: -63.376
flat angles P-C4'-P energy: -38.713
tors. eta vs tors. theta energy: -61.641
Dist. restrs. and SS energy: 6.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -844.044921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.044921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.901983 (E_RNA)
where:
Base-Base interactions energy: -594.502
where: short stacking energy: -231.910
Base-Backbone interact. energy: -3.137
local terms energy: -258.262552
where:
bonds (distance) C4'-P energy: -61.288
bonds (distance) P-C4' energy: -52.190
flat angles C4'-P-C4' energy: -60.500
flat angles P-C4'-P energy: -29.927
tors. eta vs tors. theta energy: -54.357
Dist. restrs. and SS energy: 11.857 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -825.325807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.325807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.185908 (E_RNA)
where:
Base-Base interactions energy: -607.162
where: short stacking energy: -235.994
Base-Backbone interact. energy: -2.507
local terms energy: -224.516639
where:
bonds (distance) C4'-P energy: -36.623
bonds (distance) P-C4' energy: -44.656
flat angles C4'-P-C4' energy: -55.258
flat angles P-C4'-P energy: -31.870
tors. eta vs tors. theta energy: -56.111
Dist. restrs. and SS energy: 8.860 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -843.943554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.943554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.222734 (E_RNA)
where:
Base-Base interactions energy: -590.100
where: short stacking energy: -219.387
Base-Backbone interact. energy: -3.035
local terms energy: -259.086913
where:
bonds (distance) C4'-P energy: -58.827
bonds (distance) P-C4' energy: -59.839
flat angles C4'-P-C4' energy: -55.705
flat angles P-C4'-P energy: -30.941
tors. eta vs tors. theta energy: -53.774
Dist. restrs. and SS energy: 8.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -740.373341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.373341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.425588 (E_RNA)
where:
Base-Base interactions energy: -536.016
where: short stacking energy: -220.072
Base-Backbone interact. energy: -1.173
local terms energy: -214.237374
where:
bonds (distance) C4'-P energy: -50.034
bonds (distance) P-C4' energy: -41.343
flat angles C4'-P-C4' energy: -48.031
flat angles P-C4'-P energy: -40.449
tors. eta vs tors. theta energy: -34.381
Dist. restrs. and SS energy: 11.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -1092.043702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.043702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.556998 (E_RNA)
where:
Base-Base interactions energy: -773.454
where: short stacking energy: -313.008
Base-Backbone interact. energy: -1.832
local terms energy: -325.271348
where:
bonds (distance) C4'-P energy: -73.772
bonds (distance) P-C4' energy: -55.545
flat angles C4'-P-C4' energy: -64.427
flat angles P-C4'-P energy: -50.260
tors. eta vs tors. theta energy: -81.267
Dist. restrs. and SS energy: 8.513 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -1099.163006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.163006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.930135 (E_RNA)
where:
Base-Base interactions energy: -760.445
where: short stacking energy: -321.546
Base-Backbone interact. energy: -1.845
local terms energy: -347.639833
where:
bonds (distance) C4'-P energy: -71.293
bonds (distance) P-C4' energy: -59.831
flat angles C4'-P-C4' energy: -73.495
flat angles P-C4'-P energy: -49.547
tors. eta vs tors. theta energy: -93.474
Dist. restrs. and SS energy: 10.767 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -1018.037907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.037907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.603603 (E_RNA)
where:
Base-Base interactions energy: -703.791
where: short stacking energy: -285.939
Base-Backbone interact. energy: -1.881
local terms energy: -316.931586
where:
bonds (distance) C4'-P energy: -61.069
bonds (distance) P-C4' energy: -57.351
flat angles C4'-P-C4' energy: -71.261
flat angles P-C4'-P energy: -50.281
tors. eta vs tors. theta energy: -76.970
Dist. restrs. and SS energy: 4.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -942.060656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.060656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.054841 (E_RNA)
where:
Base-Base interactions energy: -663.927
where: short stacking energy: -248.396
Base-Backbone interact. energy: -0.028
local terms energy: -284.100288
where:
bonds (distance) C4'-P energy: -60.544
bonds (distance) P-C4' energy: -66.496
flat angles C4'-P-C4' energy: -55.573
flat angles P-C4'-P energy: -39.502
tors. eta vs tors. theta energy: -61.984
Dist. restrs. and SS energy: 5.994 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -925.330683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.330683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.400969 (E_RNA)
where:
Base-Base interactions energy: -651.451
where: short stacking energy: -268.507
Base-Backbone interact. energy: -1.285
local terms energy: -281.664393
where:
bonds (distance) C4'-P energy: -56.913
bonds (distance) P-C4' energy: -57.101
flat angles C4'-P-C4' energy: -75.894
flat angles P-C4'-P energy: -33.689
tors. eta vs tors. theta energy: -58.068
Dist. restrs. and SS energy: 9.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -837.288142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.288142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.865075 (E_RNA)
where:
Base-Base interactions energy: -557.192
where: short stacking energy: -242.766
Base-Backbone interact. energy: -1.449
local terms energy: -296.224055
where:
bonds (distance) C4'-P energy: -62.926
bonds (distance) P-C4' energy: -65.133
flat angles C4'-P-C4' energy: -59.007
flat angles P-C4'-P energy: -46.769
tors. eta vs tors. theta energy: -62.388
Dist. restrs. and SS energy: 17.577 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -883.814652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.814652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.170516 (E_RNA)
where:
Base-Base interactions energy: -633.809
where: short stacking energy: -234.939
Base-Backbone interact. energy: -1.144
local terms energy: -257.218234
where:
bonds (distance) C4'-P energy: -58.761
bonds (distance) P-C4' energy: -60.333
flat angles C4'-P-C4' energy: -56.019
flat angles P-C4'-P energy: -31.859
tors. eta vs tors. theta energy: -50.246
Dist. restrs. and SS energy: 8.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -823.299671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.299671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.248734 (E_RNA)
where:
Base-Base interactions energy: -566.673
where: short stacking energy: -236.418
Base-Backbone interact. energy: -3.128
local terms energy: -265.448409
where:
bonds (distance) C4'-P energy: -49.249
bonds (distance) P-C4' energy: -55.839
flat angles C4'-P-C4' energy: -62.941
flat angles P-C4'-P energy: -33.628
tors. eta vs tors. theta energy: -63.792
Dist. restrs. and SS energy: 11.949 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -881.173509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.173509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.336042 (E_RNA)
where:
Base-Base interactions energy: -637.639
where: short stacking energy: -240.461
Base-Backbone interact. energy: -2.922
local terms energy: -246.774623
where:
bonds (distance) C4'-P energy: -45.128
bonds (distance) P-C4' energy: -54.828
flat angles C4'-P-C4' energy: -45.259
flat angles P-C4'-P energy: -38.545
tors. eta vs tors. theta energy: -63.014
Dist. restrs. and SS energy: 6.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -737.053085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.053085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.197849 (E_RNA)
where:
Base-Base interactions energy: -508.933
where: short stacking energy: -194.750
Base-Backbone interact. energy: 0.189
local terms energy: -248.453761
where:
bonds (distance) C4'-P energy: -55.297
bonds (distance) P-C4' energy: -52.445
flat angles C4'-P-C4' energy: -60.973
flat angles P-C4'-P energy: -42.698
tors. eta vs tors. theta energy: -37.040
Dist. restrs. and SS energy: 20.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -1106.839673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.839673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.946148 (E_RNA)
where:
Base-Base interactions energy: -781.178
where: short stacking energy: -322.054
Base-Backbone interact. energy: 0.548
local terms energy: -336.315778
where:
bonds (distance) C4'-P energy: -67.772
bonds (distance) P-C4' energy: -56.950
flat angles C4'-P-C4' energy: -78.659
flat angles P-C4'-P energy: -53.116
tors. eta vs tors. theta energy: -79.818
Dist. restrs. and SS energy: 10.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -1123.214735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.214735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.775647 (E_RNA)
where:
Base-Base interactions energy: -770.145
where: short stacking energy: -339.385
Base-Backbone interact. energy: -2.292
local terms energy: -362.339566
where:
bonds (distance) C4'-P energy: -69.607
bonds (distance) P-C4' energy: -70.254
flat angles C4'-P-C4' energy: -79.611
flat angles P-C4'-P energy: -52.434
tors. eta vs tors. theta energy: -90.434
Dist. restrs. and SS energy: 11.561 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -1051.889409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.889409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.255913 (E_RNA)
where:
Base-Base interactions energy: -731.890
where: short stacking energy: -311.196
Base-Backbone interact. energy: -1.209
local terms energy: -324.156698
where:
bonds (distance) C4'-P energy: -68.083
bonds (distance) P-C4' energy: -62.848
flat angles C4'-P-C4' energy: -73.132
flat angles P-C4'-P energy: -40.690
tors. eta vs tors. theta energy: -79.404
Dist. restrs. and SS energy: 5.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -992.414903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.414903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.112495 (E_RNA)
where:
Base-Base interactions energy: -688.637
where: short stacking energy: -277.648
Base-Backbone interact. energy: -2.228
local terms energy: -307.246909
where:
bonds (distance) C4'-P energy: -57.363
bonds (distance) P-C4' energy: -58.965
flat angles C4'-P-C4' energy: -70.506
flat angles P-C4'-P energy: -46.785
tors. eta vs tors. theta energy: -73.627
Dist. restrs. and SS energy: 5.698 (S_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: 9
Temperature: 1.100000
Total energy: -916.650182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.650182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.771040 (E_RNA)
where:
Base-Base interactions energy: -634.687
where: short stacking energy: -242.951
Base-Backbone interact. energy: 2.331
local terms energy: -290.415390
where:
bonds (distance) C4'-P energy: -63.046
bonds (distance) P-C4' energy: -64.828
flat angles C4'-P-C4' energy: -64.877
flat angles P-C4'-P energy: -35.812
tors. eta vs tors. theta energy: -61.853
Dist. restrs. and SS energy: 6.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -979.459899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.459899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.366951 (E_RNA)
where:
Base-Base interactions energy: -690.312
where: short stacking energy: -272.680
Base-Backbone interact. energy: -2.369
local terms energy: -296.685321
where:
bonds (distance) C4'-P energy: -55.213
bonds (distance) P-C4' energy: -55.240
flat angles C4'-P-C4' energy: -66.911
flat angles P-C4'-P energy: -47.050
tors. eta vs tors. theta energy: -72.273
Dist. restrs. and SS energy: 9.907 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -830.720265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.720265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.885197 (E_RNA)
where:
Base-Base interactions energy: -580.759
where: short stacking energy: -234.141
Base-Backbone interact. energy: 0.622
local terms energy: -259.748706
where:
bonds (distance) C4'-P energy: -41.266
bonds (distance) P-C4' energy: -52.532
flat angles C4'-P-C4' energy: -69.583
flat angles P-C4'-P energy: -35.755
tors. eta vs tors. theta energy: -60.613
Dist. restrs. and SS energy: 9.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -889.251790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.251790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.998488 (E_RNA)
where:
Base-Base interactions energy: -633.530
where: short stacking energy: -241.914
Base-Backbone interact. energy: 0.586
local terms energy: -262.054479
where:
bonds (distance) C4'-P energy: -65.016
bonds (distance) P-C4' energy: -48.821
flat angles C4'-P-C4' energy: -52.204
flat angles P-C4'-P energy: -39.437
tors. eta vs tors. theta energy: -56.576
Dist. restrs. and SS energy: 5.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -786.752695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.752695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.778048 (E_RNA)
where:
Base-Base interactions energy: -551.277
where: short stacking energy: -232.434
Base-Backbone interact. energy: -0.816
local terms energy: -251.685107
where:
bonds (distance) C4'-P energy: -57.256
bonds (distance) P-C4' energy: -41.338
flat angles C4'-P-C4' energy: -60.613
flat angles P-C4'-P energy: -43.724
tors. eta vs tors. theta energy: -48.754
Dist. restrs. and SS energy: 17.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -765.125489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.125489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.196952 (E_RNA)
where:
Base-Base interactions energy: -542.187
where: short stacking energy: -201.791
Base-Backbone interact. energy: 0.007
local terms energy: -235.016267
where:
bonds (distance) C4'-P energy: -49.643
bonds (distance) P-C4' energy: -60.152
flat angles C4'-P-C4' energy: -58.821
flat angles P-C4'-P energy: -21.706
tors. eta vs tors. theta energy: -44.694
Dist. restrs. and SS energy: 12.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -1171.033501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.033501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.080434 (E_RNA)
where:
Base-Base interactions energy: -799.360
where: short stacking energy: -335.521
Base-Backbone interact. energy: 0.709
local terms energy: -383.429168
where:
bonds (distance) C4'-P energy: -67.619
bonds (distance) P-C4' energy: -71.517
flat angles C4'-P-C4' energy: -84.757
flat angles P-C4'-P energy: -52.836
tors. eta vs tors. theta energy: -106.701
Dist. restrs. and SS energy: 11.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -1087.455046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.455046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.119816 (E_RNA)
where:
Base-Base interactions energy: -753.212
where: short stacking energy: -301.198
Base-Backbone interact. energy: -2.203
local terms energy: -339.704798
where:
bonds (distance) C4'-P energy: -61.158
bonds (distance) P-C4' energy: -65.806
flat angles C4'-P-C4' energy: -78.432
flat angles P-C4'-P energy: -53.837
tors. eta vs tors. theta energy: -80.472
Dist. restrs. and SS energy: 7.665 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -1038.161433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.161433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.622006 (E_RNA)
where:
Base-Base interactions energy: -726.779
where: short stacking energy: -294.902
Base-Backbone interact. energy: -2.048
local terms energy: -312.794589
where:
bonds (distance) C4'-P energy: -61.129
bonds (distance) P-C4' energy: -63.531
flat angles C4'-P-C4' energy: -66.997
flat angles P-C4'-P energy: -48.078
tors. eta vs tors. theta energy: -73.061
Dist. restrs. and SS energy: 3.461 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -1016.971492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.971492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.575998 (E_RNA)
where:
Base-Base interactions energy: -703.191
where: short stacking energy: -290.690
Base-Backbone interact. energy: -2.021
local terms energy: -319.364540
where:
bonds (distance) C4'-P energy: -58.635
bonds (distance) P-C4' energy: -59.638
flat angles C4'-P-C4' energy: -66.800
flat angles P-C4'-P energy: -50.592
tors. eta vs tors. theta energy: -83.699
Dist. restrs. and SS energy: 7.605 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -1011.829459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.829459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.429986 (E_RNA)
where:
Base-Base interactions energy: -710.273
where: short stacking energy: -293.954
Base-Backbone interact. energy: -4.130
local terms energy: -302.026663
where:
bonds (distance) C4'-P energy: -64.014
bonds (distance) P-C4' energy: -57.595
flat angles C4'-P-C4' energy: -65.477
flat angles P-C4'-P energy: -36.703
tors. eta vs tors. theta energy: -78.238
Dist. restrs. and SS energy: 4.601 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -947.476296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.476296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.516036 (E_RNA)
where:
Base-Base interactions energy: -652.901
where: short stacking energy: -273.949
Base-Backbone interact. energy: -1.831
local terms energy: -298.784427
where:
bonds (distance) C4'-P energy: -66.509
bonds (distance) P-C4' energy: -57.602
flat angles C4'-P-C4' energy: -64.118
flat angles P-C4'-P energy: -40.328
tors. eta vs tors. theta energy: -70.228
Dist. restrs. and SS energy: 6.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -954.569902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.569902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.988483 (E_RNA)
where:
Base-Base interactions energy: -658.757
where: short stacking energy: -267.400
Base-Backbone interact. energy: -3.067
local terms energy: -299.164145
where:
bonds (distance) C4'-P energy: -66.895
bonds (distance) P-C4' energy: -61.604
flat angles C4'-P-C4' energy: -58.154
flat angles P-C4'-P energy: -35.511
tors. eta vs tors. theta energy: -77.000
Dist. restrs. and SS energy: 6.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -799.412586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.412586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.957006 (E_RNA)
where:
Base-Base interactions energy: -543.805
where: short stacking energy: -209.424
Base-Backbone interact. energy: -3.080
local terms energy: -270.071961
where:
bonds (distance) C4'-P energy: -68.356
bonds (distance) P-C4' energy: -53.786
flat angles C4'-P-C4' energy: -63.135
flat angles P-C4'-P energy: -35.654
tors. eta vs tors. theta energy: -49.141
Dist. restrs. and SS energy: 17.544 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -803.968153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.968153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.307295 (E_RNA)
where:
Base-Base interactions energy: -561.757
where: short stacking energy: -217.155
Base-Backbone interact. energy: -0.645
local terms energy: -255.905277
where:
bonds (distance) C4'-P energy: -43.188
bonds (distance) P-C4' energy: -59.276
flat angles C4'-P-C4' energy: -64.432
flat angles P-C4'-P energy: -36.018
tors. eta vs tors. theta energy: -52.991
Dist. restrs. and SS energy: 14.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -725.099339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.099339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.473398 (E_RNA)
where:
Base-Base interactions energy: -512.180
where: short stacking energy: -199.681
Base-Backbone interact. energy: -2.033
local terms energy: -227.260366
where:
bonds (distance) C4'-P energy: -62.610
bonds (distance) P-C4' energy: -56.824
flat angles C4'-P-C4' energy: -44.287
flat angles P-C4'-P energy: -31.021
tors. eta vs tors. theta energy: -32.519
Dist. restrs. and SS energy: 16.374 (S_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: 11
Temperature: 0.900000
Total energy: -1158.845999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.845999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.056232 (E_RNA)
where:
Base-Base interactions energy: -808.610
where: short stacking energy: -342.699
Base-Backbone interact. energy: -0.050
local terms energy: -361.396553
where:
bonds (distance) C4'-P energy: -63.357
bonds (distance) P-C4' energy: -73.858
flat angles C4'-P-C4' energy: -68.223
flat angles P-C4'-P energy: -52.851
tors. eta vs tors. theta energy: -103.107
Dist. restrs. and SS energy: 11.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -1095.954553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.954553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.538054 (E_RNA)
where:
Base-Base interactions energy: -771.393
where: short stacking energy: -317.329
Base-Backbone interact. energy: -1.084
local terms energy: -327.061223
where:
bonds (distance) C4'-P energy: -61.086
bonds (distance) P-C4' energy: -67.053
flat angles C4'-P-C4' energy: -65.905
flat angles P-C4'-P energy: -45.620
tors. eta vs tors. theta energy: -87.398
Dist. restrs. and SS energy: 3.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -1053.980581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.980581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.532050 (E_RNA)
where:
Base-Base interactions energy: -733.645
where: short stacking energy: -295.308
Base-Backbone interact. energy: -0.494
local terms energy: -331.392966
where:
bonds (distance) C4'-P energy: -66.325
bonds (distance) P-C4' energy: -63.525
flat angles C4'-P-C4' energy: -74.486
flat angles P-C4'-P energy: -44.845
tors. eta vs tors. theta energy: -82.211
Dist. restrs. and SS energy: 11.551 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -1033.621462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.621462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.072497 (E_RNA)
where:
Base-Base interactions energy: -731.651
where: short stacking energy: -285.732
Base-Backbone interact. energy: -2.638
local terms energy: -303.783560
where:
bonds (distance) C4'-P energy: -60.298
bonds (distance) P-C4' energy: -69.012
flat angles C4'-P-C4' energy: -62.543
flat angles P-C4'-P energy: -44.857
tors. eta vs tors. theta energy: -67.072
Dist. restrs. and SS energy: 4.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -1003.102247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.102247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.456687 (E_RNA)
where:
Base-Base interactions energy: -697.164
where: short stacking energy: -292.691
Base-Backbone interact. energy: 0.689
local terms energy: -317.981932
where:
bonds (distance) C4'-P energy: -64.224
bonds (distance) P-C4' energy: -57.037
flat angles C4'-P-C4' energy: -72.312
flat angles P-C4'-P energy: -42.959
tors. eta vs tors. theta energy: -81.450
Dist. restrs. and SS energy: 11.354 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -923.781384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.781384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.318920 (E_RNA)
where:
Base-Base interactions energy: -641.950
where: short stacking energy: -253.221
Base-Backbone interact. energy: -0.939
local terms energy: -284.429503
where:
bonds (distance) C4'-P energy: -65.776
bonds (distance) P-C4' energy: -59.893
flat angles C4'-P-C4' energy: -64.893
flat angles P-C4'-P energy: -32.481
tors. eta vs tors. theta energy: -61.386
Dist. restrs. and SS energy: 3.538 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -942.686606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.686606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.166028 (E_RNA)
where:
Base-Base interactions energy: -661.159
where: short stacking energy: -264.216
Base-Backbone interact. energy: -0.494
local terms energy: -286.512718
where:
bonds (distance) C4'-P energy: -56.189
bonds (distance) P-C4' energy: -52.472
flat angles C4'-P-C4' energy: -61.687
flat angles P-C4'-P energy: -45.179
tors. eta vs tors. theta energy: -70.986
Dist. restrs. and SS energy: 5.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -848.137742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.137742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.062979 (E_RNA)
where:
Base-Base interactions energy: -585.842
where: short stacking energy: -230.769
Base-Backbone interact. energy: 0.037
local terms energy: -269.257900
where:
bonds (distance) C4'-P energy: -61.908
bonds (distance) P-C4' energy: -49.710
flat angles C4'-P-C4' energy: -61.700
flat angles P-C4'-P energy: -31.037
tors. eta vs tors. theta energy: -64.903
Dist. restrs. and SS energy: 6.925 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -787.981971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.981971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.115752 (E_RNA)
where:
Base-Base interactions energy: -539.428
where: short stacking energy: -200.417
Base-Backbone interact. energy: -1.344
local terms energy: -257.343644
where:
bonds (distance) C4'-P energy: -51.792
bonds (distance) P-C4' energy: -55.917
flat angles C4'-P-C4' energy: -55.100
flat angles P-C4'-P energy: -38.287
tors. eta vs tors. theta energy: -56.248
Dist. restrs. and SS energy: 10.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -729.608652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.608652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.040653 (E_RNA)
where:
Base-Base interactions energy: -503.948
where: short stacking energy: -182.609
Base-Backbone interact. energy: -2.756
local terms energy: -243.336882
where:
bonds (distance) C4'-P energy: -58.344
bonds (distance) P-C4' energy: -60.317
flat angles C4'-P-C4' energy: -62.737
flat angles P-C4'-P energy: -30.659
tors. eta vs tors. theta energy: -31.279
Dist. restrs. and SS energy: 20.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -1167.229175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.229175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.194613 (E_RNA)
where:
Base-Base interactions energy: -818.555
where: short stacking energy: -337.952
Base-Backbone interact. energy: -1.776
local terms energy: -354.863143
where:
bonds (distance) C4'-P energy: -70.453
bonds (distance) P-C4' energy: -62.643
flat angles C4'-P-C4' energy: -73.592
flat angles P-C4'-P energy: -52.394
tors. eta vs tors. theta energy: -95.781
Dist. restrs. and SS energy: 7.965 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -1115.360950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.360950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.714101 (E_RNA)
where:
Base-Base interactions energy: -782.988
where: short stacking energy: -312.495
Base-Backbone interact. energy: -3.450
local terms energy: -332.275405
where:
bonds (distance) C4'-P energy: -66.737
bonds (distance) P-C4' energy: -61.630
flat angles C4'-P-C4' energy: -82.007
flat angles P-C4'-P energy: -45.430
tors. eta vs tors. theta energy: -76.472
Dist. restrs. and SS energy: 3.353 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -1067.365423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.365423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.651782 (E_RNA)
where:
Base-Base interactions energy: -754.290
where: short stacking energy: -307.345
Base-Backbone interact. energy: -2.834
local terms energy: -319.527627
where:
bonds (distance) C4'-P energy: -64.374
bonds (distance) P-C4' energy: -55.788
flat angles C4'-P-C4' energy: -73.473
flat angles P-C4'-P energy: -49.673
tors. eta vs tors. theta energy: -76.220
Dist. restrs. and SS energy: 9.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -1023.735241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.735241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.681946 (E_RNA)
where:
Base-Base interactions energy: -726.348
where: short stacking energy: -285.808
Base-Backbone interact. energy: -0.531
local terms energy: -303.802215
where:
bonds (distance) C4'-P energy: -62.794
bonds (distance) P-C4' energy: -58.237
flat angles C4'-P-C4' energy: -73.150
flat angles P-C4'-P energy: -36.427
tors. eta vs tors. theta energy: -73.193
Dist. restrs. and SS energy: 6.947 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -995.458927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.458927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.745378 (E_RNA)
where:
Base-Base interactions energy: -705.757
where: short stacking energy: -275.129
Base-Backbone interact. energy: 2.463
local terms energy: -298.451750
where:
bonds (distance) C4'-P energy: -56.474
bonds (distance) P-C4' energy: -58.961
flat angles C4'-P-C4' energy: -71.287
flat angles P-C4'-P energy: -44.463
tors. eta vs tors. theta energy: -67.266
Dist. restrs. and SS energy: 6.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -941.376187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.376187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.738886 (E_RNA)
where:
Base-Base interactions energy: -655.864
where: short stacking energy: -255.789
Base-Backbone interact. energy: -1.673
local terms energy: -288.202369
where:
bonds (distance) C4'-P energy: -58.074
bonds (distance) P-C4' energy: -64.587
flat angles C4'-P-C4' energy: -61.026
flat angles P-C4'-P energy: -41.599
tors. eta vs tors. theta energy: -62.916
Dist. restrs. and SS energy: 4.363 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -911.816216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.816216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.637499 (E_RNA)
where:
Base-Base interactions energy: -637.095
where: short stacking energy: -247.231
Base-Backbone interact. energy: -2.784
local terms energy: -275.758482
where:
bonds (distance) C4'-P energy: -53.551
bonds (distance) P-C4' energy: -57.834
flat angles C4'-P-C4' energy: -62.497
flat angles P-C4'-P energy: -44.684
tors. eta vs tors. theta energy: -57.193
Dist. restrs. and SS energy: 3.821 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -855.849925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.849925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.841867 (E_RNA)
where:
Base-Base interactions energy: -592.863
where: short stacking energy: -233.858
Base-Backbone interact. energy: -1.799
local terms energy: -270.180101
where:
bonds (distance) C4'-P energy: -60.878
bonds (distance) P-C4' energy: -54.624
flat angles C4'-P-C4' energy: -67.805
flat angles P-C4'-P energy: -31.519
tors. eta vs tors. theta energy: -55.354
Dist. restrs. and SS energy: 8.992 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -779.366156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.366156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.937590 (E_RNA)
where:
Base-Base interactions energy: -541.483
where: short stacking energy: -209.690
Base-Backbone interact. energy: 2.816
local terms energy: -258.270157
where:
bonds (distance) C4'-P energy: -50.708
bonds (distance) P-C4' energy: -58.500
flat angles C4'-P-C4' energy: -55.845
flat angles P-C4'-P energy: -44.733
tors. eta vs tors. theta energy: -48.484
Dist. restrs. and SS energy: 17.571 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -738.292376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.292376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.193349 (E_RNA)
where:
Base-Base interactions energy: -521.451
where: short stacking energy: -202.179
Base-Backbone interact. energy: -1.971
local terms energy: -231.771263
where:
bonds (distance) C4'-P energy: -58.806
bonds (distance) P-C4' energy: -48.022
flat angles C4'-P-C4' energy: -53.553
flat angles P-C4'-P energy: -31.960
tors. eta vs tors. theta energy: -39.431
Dist. restrs. and SS energy: 16.901 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -1144.648901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.648901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.885323 (E_RNA)
where:
Base-Base interactions energy: -793.313
where: short stacking energy: -340.192
Base-Backbone interact. energy: -1.748
local terms energy: -356.824738
where:
bonds (distance) C4'-P energy: -63.603
bonds (distance) P-C4' energy: -75.148
flat angles C4'-P-C4' energy: -73.766
flat angles P-C4'-P energy: -47.203
tors. eta vs tors. theta energy: -97.104
Dist. restrs. and SS energy: 7.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -1073.479968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.479968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.644054 (E_RNA)
where:
Base-Base interactions energy: -739.088
where: short stacking energy: -297.248
Base-Backbone interact. energy: -2.324
local terms energy: -336.232436
where:
bonds (distance) C4'-P energy: -68.555
bonds (distance) P-C4' energy: -63.843
flat angles C4'-P-C4' energy: -69.899
flat angles P-C4'-P energy: -51.453
tors. eta vs tors. theta energy: -82.484
Dist. restrs. and SS energy: 4.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -1055.608659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.608659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.130186 (E_RNA)
where:
Base-Base interactions energy: -759.360
where: short stacking energy: -276.305
Base-Backbone interact. energy: -2.566
local terms energy: -302.204117
where:
bonds (distance) C4'-P energy: -74.001
bonds (distance) P-C4' energy: -59.803
flat angles C4'-P-C4' energy: -66.105
flat angles P-C4'-P energy: -32.605
tors. eta vs tors. theta energy: -69.690
Dist. restrs. and SS energy: 8.522 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -1037.974669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.974669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.918736 (E_RNA)
where:
Base-Base interactions energy: -719.202
where: short stacking energy: -304.698
Base-Backbone interact. energy: -0.192
local terms energy: -325.525500
where:
bonds (distance) C4'-P energy: -60.413
bonds (distance) P-C4' energy: -64.071
flat angles C4'-P-C4' energy: -73.061
flat angles P-C4'-P energy: -52.893
tors. eta vs tors. theta energy: -75.087
Dist. restrs. and SS energy: 6.944 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -1018.798072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.798072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.694435 (E_RNA)
where:
Base-Base interactions energy: -714.212
where: short stacking energy: -286.541
Base-Backbone interact. energy: -1.432
local terms energy: -308.050247
where:
bonds (distance) C4'-P energy: -63.056
bonds (distance) P-C4' energy: -53.045
flat angles C4'-P-C4' energy: -62.238
flat angles P-C4'-P energy: -52.055
tors. eta vs tors. theta energy: -77.657
Dist. restrs. and SS energy: 4.896 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -948.473971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.473971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.478159 (E_RNA)
where:
Base-Base interactions energy: -659.427
where: short stacking energy: -266.054
Base-Backbone interact. energy: 2.083
local terms energy: -295.134560
where:
bonds (distance) C4'-P energy: -65.425
bonds (distance) P-C4' energy: -63.352
flat angles C4'-P-C4' energy: -60.717
flat angles P-C4'-P energy: -39.834
tors. eta vs tors. theta energy: -65.806
Dist. restrs. and SS energy: 4.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -906.351465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.351465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.857155 (E_RNA)
where:
Base-Base interactions energy: -603.494
where: short stacking energy: -256.585
Base-Backbone interact. energy: -2.162
local terms energy: -307.201792
where:
bonds (distance) C4'-P energy: -55.818
bonds (distance) P-C4' energy: -59.378
flat angles C4'-P-C4' energy: -61.593
flat angles P-C4'-P energy: -57.657
tors. eta vs tors. theta energy: -72.756
Dist. restrs. and SS energy: 6.506 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -890.261163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.261163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.857997 (E_RNA)
where:
Base-Base interactions energy: -626.072
where: short stacking energy: -240.013
Base-Backbone interact. energy: -1.241
local terms energy: -268.544538
where:
bonds (distance) C4'-P energy: -53.441
bonds (distance) P-C4' energy: -57.886
flat angles C4'-P-C4' energy: -51.242
flat angles P-C4'-P energy: -44.916
tors. eta vs tors. theta energy: -61.059
Dist. restrs. and SS energy: 5.597 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -825.345571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.345571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.890147 (E_RNA)
where:
Base-Base interactions energy: -600.996
where: short stacking energy: -223.172
Base-Backbone interact. energy: -0.184
local terms energy: -243.709958
where:
bonds (distance) C4'-P energy: -41.812
bonds (distance) P-C4' energy: -60.059
flat angles C4'-P-C4' energy: -63.364
flat angles P-C4'-P energy: -29.328
tors. eta vs tors. theta energy: -49.146
Dist. restrs. and SS energy: 19.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -779.236712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.236712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.921922 (E_RNA)
where:
Base-Base interactions energy: -558.783
where: short stacking energy: -213.508
Base-Backbone interact. energy: -0.892
local terms energy: -233.247374
where:
bonds (distance) C4'-P energy: -54.199
bonds (distance) P-C4' energy: -45.447
flat angles C4'-P-C4' energy: -56.669
flat angles P-C4'-P energy: -31.891
tors. eta vs tors. theta energy: -45.042
Dist. restrs. and SS energy: 13.685 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -1163.320138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.320138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.932223 (E_RNA)
where:
Base-Base interactions energy: -790.692
where: short stacking energy: -331.109
Base-Backbone interact. energy: -3.468
local terms energy: -375.772426
where:
bonds (distance) C4'-P energy: -64.715
bonds (distance) P-C4' energy: -82.930
flat angles C4'-P-C4' energy: -70.096
flat angles P-C4'-P energy: -53.915
tors. eta vs tors. theta energy: -104.115
Dist. restrs. and SS energy: 6.612 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -1109.391443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.391443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.125968 (E_RNA)
where:
Base-Base interactions energy: -776.221
where: short stacking energy: -320.487
Base-Backbone interact. energy: -1.909
local terms energy: -334.995467
where:
bonds (distance) C4'-P energy: -70.533
bonds (distance) P-C4' energy: -64.014
flat angles C4'-P-C4' energy: -69.709
flat angles P-C4'-P energy: -46.971
tors. eta vs tors. theta energy: -83.768
Dist. restrs. and SS energy: 3.735 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -1084.634313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.634313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.972749 (E_RNA)
where:
Base-Base interactions energy: -784.846
where: short stacking energy: -311.609
Base-Backbone interact. energy: 0.766
local terms energy: -311.892692
where:
bonds (distance) C4'-P energy: -57.504
bonds (distance) P-C4' energy: -65.530
flat angles C4'-P-C4' energy: -66.892
flat angles P-C4'-P energy: -53.147
tors. eta vs tors. theta energy: -68.821
Dist. restrs. and SS energy: 11.338 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -1064.466170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.466170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.779248 (E_RNA)
where:
Base-Base interactions energy: -752.584
where: short stacking energy: -306.735
Base-Backbone interact. energy: -0.833
local terms energy: -317.362063
where:
bonds (distance) C4'-P energy: -49.568
bonds (distance) P-C4' energy: -60.726
flat angles C4'-P-C4' energy: -68.670
flat angles P-C4'-P energy: -60.008
tors. eta vs tors. theta energy: -78.391
Dist. restrs. and SS energy: 6.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -979.077836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.077836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.898885 (E_RNA)
where:
Base-Base interactions energy: -677.084
where: short stacking energy: -263.722
Base-Backbone interact. energy: -0.890
local terms energy: -305.924601
where:
bonds (distance) C4'-P energy: -54.997
bonds (distance) P-C4' energy: -67.010
flat angles C4'-P-C4' energy: -64.025
flat angles P-C4'-P energy: -49.503
tors. eta vs tors. theta energy: -70.389
Dist. restrs. and SS energy: 4.821 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -956.048220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.048220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.562749 (E_RNA)
where:
Base-Base interactions energy: -670.543
where: short stacking energy: -256.751
Base-Backbone interact. energy: 3.033
local terms energy: -293.052607
where:
bonds (distance) C4'-P energy: -58.548
bonds (distance) P-C4' energy: -64.428
flat angles C4'-P-C4' energy: -63.270
flat angles P-C4'-P energy: -42.721
tors. eta vs tors. theta energy: -64.086
Dist. restrs. and SS energy: 4.515 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -912.651092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.651092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.583747 (E_RNA)
where:
Base-Base interactions energy: -635.839
where: short stacking energy: -258.160
Base-Backbone interact. energy: -1.571
local terms energy: -282.173319
where:
bonds (distance) C4'-P energy: -63.201
bonds (distance) P-C4' energy: -57.565
flat angles C4'-P-C4' energy: -67.076
flat angles P-C4'-P energy: -38.843
tors. eta vs tors. theta energy: -55.489
Dist. restrs. and SS energy: 6.933 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -845.220744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.220744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.939208 (E_RNA)
where:
Base-Base interactions energy: -594.669
where: short stacking energy: -225.477
Base-Backbone interact. energy: -3.058
local terms energy: -257.212606
where:
bonds (distance) C4'-P energy: -50.048
bonds (distance) P-C4' energy: -59.551
flat angles C4'-P-C4' energy: -55.224
flat angles P-C4'-P energy: -33.497
tors. eta vs tors. theta energy: -58.892
Dist. restrs. and SS energy: 9.718 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -810.920813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.920813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.387951 (E_RNA)
where:
Base-Base interactions energy: -577.053
where: short stacking energy: -227.683
Base-Backbone interact. energy: -1.158
local terms energy: -258.176930
where:
bonds (distance) C4'-P energy: -58.255
bonds (distance) P-C4' energy: -48.252
flat angles C4'-P-C4' energy: -55.424
flat angles P-C4'-P energy: -43.624
tors. eta vs tors. theta energy: -52.623
Dist. restrs. and SS energy: 25.467 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -770.782064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.782064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.033614 (E_RNA)
where:
Base-Base interactions energy: -562.810
where: short stacking energy: -223.717
Base-Backbone interact. energy: -2.395
local terms energy: -220.828154
where:
bonds (distance) C4'-P energy: -47.236
bonds (distance) P-C4' energy: -49.166
flat angles C4'-P-C4' energy: -52.304
flat angles P-C4'-P energy: -21.272
tors. eta vs tors. theta energy: -50.850
Dist. restrs. and SS energy: 15.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -1202.361266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.361266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.932575 (E_RNA)
where:
Base-Base interactions energy: -844.122
where: short stacking energy: -338.345
Base-Backbone interact. energy: -1.718
local terms energy: -360.091915
where:
bonds (distance) C4'-P energy: -72.892
bonds (distance) P-C4' energy: -74.245
flat angles C4'-P-C4' energy: -68.693
flat angles P-C4'-P energy: -48.240
tors. eta vs tors. theta energy: -96.022
Dist. restrs. and SS energy: 3.571 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -1096.594477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.594477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.039145 (E_RNA)
where:
Base-Base interactions energy: -778.257
where: short stacking energy: -324.527
Base-Backbone interact. energy: -0.981
local terms energy: -320.801336
where:
bonds (distance) C4'-P energy: -61.799
bonds (distance) P-C4' energy: -60.891
flat angles C4'-P-C4' energy: -71.479
flat angles P-C4'-P energy: -40.709
tors. eta vs tors. theta energy: -85.924
Dist. restrs. and SS energy: 3.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -1071.908201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.908201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.995634 (E_RNA)
where:
Base-Base interactions energy: -751.989
where: short stacking energy: -304.918
Base-Backbone interact. energy: -1.891
local terms energy: -328.115657
where:
bonds (distance) C4'-P energy: -65.933
bonds (distance) P-C4' energy: -68.566
flat angles C4'-P-C4' energy: -69.984
flat angles P-C4'-P energy: -50.331
tors. eta vs tors. theta energy: -73.302
Dist. restrs. and SS energy: 10.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -1074.471684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.471684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.567165 (E_RNA)
where:
Base-Base interactions energy: -760.857
where: short stacking energy: -301.982
Base-Backbone interact. energy: -0.440
local terms energy: -319.269625
where:
bonds (distance) C4'-P energy: -69.642
bonds (distance) P-C4' energy: -58.476
flat angles C4'-P-C4' energy: -67.652
flat angles P-C4'-P energy: -42.107
tors. eta vs tors. theta energy: -81.391
Dist. restrs. and SS energy: 6.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -970.635072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.635072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.964385 (E_RNA)
where:
Base-Base interactions energy: -670.095
where: short stacking energy: -276.901
Base-Backbone interact. energy: 0.545
local terms energy: -312.414605
where:
bonds (distance) C4'-P energy: -61.274
bonds (distance) P-C4' energy: -54.608
flat angles C4'-P-C4' energy: -73.145
flat angles P-C4'-P energy: -45.162
tors. eta vs tors. theta energy: -78.225
Dist. restrs. and SS energy: 11.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -959.021051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.021051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.706963 (E_RNA)
where:
Base-Base interactions energy: -673.421
where: short stacking energy: -267.875
Base-Backbone interact. energy: 0.508
local terms energy: -288.794289
where:
bonds (distance) C4'-P energy: -51.122
bonds (distance) P-C4' energy: -57.272
flat angles C4'-P-C4' energy: -71.930
flat angles P-C4'-P energy: -41.021
tors. eta vs tors. theta energy: -67.449
Dist. restrs. and SS energy: 2.686 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -930.254752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.254752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.698972 (E_RNA)
where:
Base-Base interactions energy: -662.712
where: short stacking energy: -266.705
Base-Backbone interact. energy: 0.308
local terms energy: -272.294774
where:
bonds (distance) C4'-P energy: -46.120
bonds (distance) P-C4' energy: -68.669
flat angles C4'-P-C4' energy: -48.555
flat angles P-C4'-P energy: -49.791
tors. eta vs tors. theta energy: -59.160
Dist. restrs. and SS energy: 4.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -859.153143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.153143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.337352 (E_RNA)
where:
Base-Base interactions energy: -614.948
where: short stacking energy: -233.325
Base-Backbone interact. energy: 1.225
local terms energy: -259.614979
where:
bonds (distance) C4'-P energy: -59.228
bonds (distance) P-C4' energy: -58.329
flat angles C4'-P-C4' energy: -47.550
flat angles P-C4'-P energy: -39.036
tors. eta vs tors. theta energy: -55.471
Dist. restrs. and SS energy: 14.184 (S_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: 15
Temperature: 1.300000
Total energy: -780.741802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.741802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.040622 (E_RNA)
where:
Base-Base interactions energy: -549.531
where: short stacking energy: -231.228
Base-Backbone interact. energy: 0.833
local terms energy: -254.342918
where:
bonds (distance) C4'-P energy: -52.301
bonds (distance) P-C4' energy: -53.717
flat angles C4'-P-C4' energy: -55.815
flat angles P-C4'-P energy: -35.107
tors. eta vs tors. theta energy: -57.403
Dist. restrs. and SS energy: 22.299 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -784.997974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.997974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.601460 (E_RNA)
where:
Base-Base interactions energy: -550.521
where: short stacking energy: -229.221
Base-Backbone interact. energy: -1.253
local terms energy: -249.828277
where:
bonds (distance) C4'-P energy: -49.165
bonds (distance) P-C4' energy: -57.859
flat angles C4'-P-C4' energy: -64.826
flat angles P-C4'-P energy: -31.428
tors. eta vs tors. theta energy: -46.550
Dist. restrs. and SS energy: 16.603 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -1178.939258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.939258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.538881 (E_RNA)
where:
Base-Base interactions energy: -829.373
where: short stacking energy: -342.348
Base-Backbone interact. energy: -0.189
local terms energy: -352.976340
where:
bonds (distance) C4'-P energy: -66.614
bonds (distance) P-C4' energy: -75.183
flat angles C4'-P-C4' energy: -70.937
flat angles P-C4'-P energy: -47.880
tors. eta vs tors. theta energy: -92.362
Dist. restrs. and SS energy: 3.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -1107.675023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.675023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.328535 (E_RNA)
where:
Base-Base interactions energy: -780.122
where: short stacking energy: -323.445
Base-Backbone interact. energy: -3.254
local terms energy: -327.953182
where:
bonds (distance) C4'-P energy: -62.873
bonds (distance) P-C4' energy: -68.385
flat angles C4'-P-C4' energy: -74.398
flat angles P-C4'-P energy: -49.715
tors. eta vs tors. theta energy: -72.582
Dist. restrs. and SS energy: 3.654 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -1065.712373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.712373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.541239 (E_RNA)
where:
Base-Base interactions energy: -745.650
where: short stacking energy: -290.025
Base-Backbone interact. energy: -2.284
local terms energy: -327.606807
where:
bonds (distance) C4'-P energy: -65.570
bonds (distance) P-C4' energy: -64.906
flat angles C4'-P-C4' energy: -70.650
flat angles P-C4'-P energy: -49.909
tors. eta vs tors. theta energy: -76.571
Dist. restrs. and SS energy: 9.829 (S_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: 16
Temperature: 1.050000
Total energy: -1083.930556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.930556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.071551 (E_RNA)
where:
Base-Base interactions energy: -759.867
where: short stacking energy: -315.975
Base-Backbone interact. energy: -4.437
local terms energy: -325.767754
where:
bonds (distance) C4'-P energy: -59.756
bonds (distance) P-C4' energy: -58.595
flat angles C4'-P-C4' energy: -71.963
flat angles P-C4'-P energy: -51.030
tors. eta vs tors. theta energy: -84.424
Dist. restrs. and SS energy: 6.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -1017.266924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.266924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.233628 (E_RNA)
where:
Base-Base interactions energy: -714.482
where: short stacking energy: -291.800
Base-Backbone interact. energy: -2.742
local terms energy: -307.009967
where:
bonds (distance) C4'-P energy: -53.324
bonds (distance) P-C4' energy: -45.239
flat angles C4'-P-C4' energy: -75.286
flat angles P-C4'-P energy: -54.468
tors. eta vs tors. theta energy: -78.692
Dist. restrs. and SS energy: 6.967 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -939.875285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.875285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.621255 (E_RNA)
where:
Base-Base interactions energy: -651.027
where: short stacking energy: -263.487
Base-Backbone interact. energy: -1.401
local terms energy: -295.192737
where:
bonds (distance) C4'-P energy: -60.551
bonds (distance) P-C4' energy: -65.940
flat angles C4'-P-C4' energy: -63.710
flat angles P-C4'-P energy: -39.497
tors. eta vs tors. theta energy: -65.495
Dist. restrs. and SS energy: 7.746 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -960.725691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.725691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.882793 (E_RNA)
where:
Base-Base interactions energy: -668.120
where: short stacking energy: -264.415
Base-Backbone interact. energy: -0.015
local terms energy: -296.747615
where:
bonds (distance) C4'-P energy: -60.971
bonds (distance) P-C4' energy: -61.062
flat angles C4'-P-C4' energy: -69.522
flat angles P-C4'-P energy: -41.420
tors. eta vs tors. theta energy: -63.774
Dist. restrs. and SS energy: 4.157 (S_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: 16
Temperature: 1.250000
Total energy: -862.757386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.757386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.391277 (E_RNA)
where:
Base-Base interactions energy: -596.307
where: short stacking energy: -235.079
Base-Backbone interact. energy: -1.816
local terms energy: -273.268457
where:
bonds (distance) C4'-P energy: -53.780
bonds (distance) P-C4' energy: -64.018
flat angles C4'-P-C4' energy: -56.450
flat angles P-C4'-P energy: -39.503
tors. eta vs tors. theta energy: -59.517
Dist. restrs. and SS energy: 8.634 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -791.159026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.159026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.442767 (E_RNA)
where:
Base-Base interactions energy: -558.496
where: short stacking energy: -226.942
Base-Backbone interact. energy: -1.477
local terms energy: -241.469663
where:
bonds (distance) C4'-P energy: -48.676
bonds (distance) P-C4' energy: -63.882
flat angles C4'-P-C4' energy: -44.868
flat angles P-C4'-P energy: -37.983
tors. eta vs tors. theta energy: -46.061
Dist. restrs. and SS energy: 10.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -783.946733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.946733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.187268 (E_RNA)
where:
Base-Base interactions energy: -558.871
where: short stacking energy: -208.873
Base-Backbone interact. energy: -1.385
local terms energy: -241.930857
where:
bonds (distance) C4'-P energy: -62.519
bonds (distance) P-C4' energy: -53.897
flat angles C4'-P-C4' energy: -39.065
flat angles P-C4'-P energy: -38.411
tors. eta vs tors. theta energy: -48.039
Dist. restrs. and SS energy: 18.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -1201.451843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.451843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.696045 (E_RNA)
where:
Base-Base interactions energy: -833.398
where: short stacking energy: -339.093
Base-Backbone interact. energy: -3.764
local terms energy: -367.534049
where:
bonds (distance) C4'-P energy: -59.184
bonds (distance) P-C4' energy: -78.813
flat angles C4'-P-C4' energy: -74.956
flat angles P-C4'-P energy: -53.254
tors. eta vs tors. theta energy: -101.327
Dist. restrs. and SS energy: 3.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -1134.007083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.007083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.050723 (E_RNA)
where:
Base-Base interactions energy: -792.199
where: short stacking energy: -330.140
Base-Backbone interact. energy: -1.220
local terms energy: -345.632174
where:
bonds (distance) C4'-P energy: -55.127
bonds (distance) P-C4' energy: -74.426
flat angles C4'-P-C4' energy: -78.649
flat angles P-C4'-P energy: -49.854
tors. eta vs tors. theta energy: -87.576
Dist. restrs. and SS energy: 5.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -1048.786964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.786964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.195610 (E_RNA)
where:
Base-Base interactions energy: -740.791
where: short stacking energy: -298.698
Base-Backbone interact. energy: -1.424
local terms energy: -315.980539
where:
bonds (distance) C4'-P energy: -62.177
bonds (distance) P-C4' energy: -67.268
flat angles C4'-P-C4' energy: -68.772
flat angles P-C4'-P energy: -47.557
tors. eta vs tors. theta energy: -70.206
Dist. restrs. and SS energy: 9.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -1046.552335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.552335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.924245 (E_RNA)
where:
Base-Base interactions energy: -732.842
where: short stacking energy: -294.334
Base-Backbone interact. energy: -1.657
local terms energy: -316.425046
where:
bonds (distance) C4'-P energy: -60.630
bonds (distance) P-C4' energy: -63.350
flat angles C4'-P-C4' energy: -68.083
flat angles P-C4'-P energy: -44.519
tors. eta vs tors. theta energy: -79.843
Dist. restrs. and SS energy: 4.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -993.341783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.341783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.310809 (E_RNA)
where:
Base-Base interactions energy: -691.457
where: short stacking energy: -275.775
Base-Backbone interact. energy: -2.343
local terms energy: -306.510911
where:
bonds (distance) C4'-P energy: -64.993
bonds (distance) P-C4' energy: -60.419
flat angles C4'-P-C4' energy: -66.017
flat angles P-C4'-P energy: -41.314
tors. eta vs tors. theta energy: -73.767
Dist. restrs. and SS energy: 6.969 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -967.472681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.472681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.121789 (E_RNA)
where:
Base-Base interactions energy: -673.219
where: short stacking energy: -271.830
Base-Backbone interact. energy: 1.894
local terms energy: -299.797617
where:
bonds (distance) C4'-P energy: -57.032
bonds (distance) P-C4' energy: -70.978
flat angles C4'-P-C4' energy: -62.509
flat angles P-C4'-P energy: -36.323
tors. eta vs tors. theta energy: -72.956
Dist. restrs. and SS energy: 3.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -1013.478992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.478992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.176184 (E_RNA)
where:
Base-Base interactions energy: -708.874
where: short stacking energy: -280.397
Base-Backbone interact. energy: -3.879
local terms energy: -303.423320
where:
bonds (distance) C4'-P energy: -45.302
bonds (distance) P-C4' energy: -57.223
flat angles C4'-P-C4' energy: -72.021
flat angles P-C4'-P energy: -49.780
tors. eta vs tors. theta energy: -79.097
Dist. restrs. and SS energy: 2.697 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -895.514337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.514337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.831667 (E_RNA)
where:
Base-Base interactions energy: -626.938
where: short stacking energy: -248.438
Base-Backbone interact. energy: -3.421
local terms energy: -271.473483
where:
bonds (distance) C4'-P energy: -47.845
bonds (distance) P-C4' energy: -56.580
flat angles C4'-P-C4' energy: -71.523
flat angles P-C4'-P energy: -28.945
tors. eta vs tors. theta energy: -66.581
Dist. restrs. and SS energy: 6.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -856.353361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.353361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.318238 (E_RNA)
where:
Base-Base interactions energy: -607.324
where: short stacking energy: -232.492
Base-Backbone interact. energy: 10.324
local terms energy: -267.317912
where:
bonds (distance) C4'-P energy: -63.049
bonds (distance) P-C4' energy: -58.360
flat angles C4'-P-C4' energy: -57.888
flat angles P-C4'-P energy: -34.319
tors. eta vs tors. theta energy: -53.702
Dist. restrs. and SS energy: 7.965 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -782.028872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.028872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.453391 (E_RNA)
where:
Base-Base interactions energy: -556.053
where: short stacking energy: -218.535
Base-Backbone interact. energy: 2.797
local terms energy: -252.197637
where:
bonds (distance) C4'-P energy: -53.259
bonds (distance) P-C4' energy: -57.901
flat angles C4'-P-C4' energy: -57.096
flat angles P-C4'-P energy: -41.709
tors. eta vs tors. theta energy: -42.232
Dist. restrs. and SS energy: 23.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -1149.245218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.245218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.779647 (E_RNA)
where:
Base-Base interactions energy: -795.847
where: short stacking energy: -325.579
Base-Backbone interact. energy: -2.382
local terms energy: -354.550556
where:
bonds (distance) C4'-P energy: -59.784
bonds (distance) P-C4' energy: -67.114
flat angles C4'-P-C4' energy: -80.945
flat angles P-C4'-P energy: -61.724
tors. eta vs tors. theta energy: -84.983
Dist. restrs. and SS energy: 3.534 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -1153.709237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.709237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.605217 (E_RNA)
where:
Base-Base interactions energy: -812.057
where: short stacking energy: -344.536
Base-Backbone interact. energy: -1.916
local terms energy: -344.632098
where:
bonds (distance) C4'-P energy: -55.925
bonds (distance) P-C4' energy: -64.245
flat angles C4'-P-C4' energy: -75.166
flat angles P-C4'-P energy: -46.676
tors. eta vs tors. theta energy: -102.620
Dist. restrs. and SS energy: 4.896 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -1048.790147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.790147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.906478 (E_RNA)
where:
Base-Base interactions energy: -743.438
where: short stacking energy: -270.722
Base-Backbone interact. energy: -0.194
local terms energy: -312.274665
where:
bonds (distance) C4'-P energy: -58.445
bonds (distance) P-C4' energy: -72.718
flat angles C4'-P-C4' energy: -62.964
flat angles P-C4'-P energy: -51.441
tors. eta vs tors. theta energy: -66.707
Dist. restrs. and SS energy: 7.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -1040.166965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.166965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.318186 (E_RNA)
where:
Base-Base interactions energy: -735.224
where: short stacking energy: -296.885
Base-Backbone interact. energy: -3.161
local terms energy: -305.932981
where:
bonds (distance) C4'-P energy: -56.865
bonds (distance) P-C4' energy: -66.421
flat angles C4'-P-C4' energy: -66.118
flat angles P-C4'-P energy: -43.335
tors. eta vs tors. theta energy: -73.193
Dist. restrs. and SS energy: 4.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -1000.494299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.494299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.484584 (E_RNA)
where:
Base-Base interactions energy: -707.224
where: short stacking energy: -270.440
Base-Backbone interact. energy: -1.456
local terms energy: -294.804490
where:
bonds (distance) C4'-P energy: -63.993
bonds (distance) P-C4' energy: -61.121
flat angles C4'-P-C4' energy: -64.448
flat angles P-C4'-P energy: -44.789
tors. eta vs tors. theta energy: -60.454
Dist. restrs. and SS energy: 2.990 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -966.912690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.912690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.150205 (E_RNA)
where:
Base-Base interactions energy: -668.393
where: short stacking energy: -263.543
Base-Backbone interact. energy: -1.336
local terms energy: -300.422012
where:
bonds (distance) C4'-P energy: -60.129
bonds (distance) P-C4' energy: -68.254
flat angles C4'-P-C4' energy: -73.034
flat angles P-C4'-P energy: -37.395
tors. eta vs tors. theta energy: -61.611
Dist. restrs. and SS energy: 3.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -975.806105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.806105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.232241 (E_RNA)
where:
Base-Base interactions energy: -672.947
where: short stacking energy: -266.844
Base-Backbone interact. energy: 0.542
local terms energy: -307.826878
where:
bonds (distance) C4'-P energy: -59.150
bonds (distance) P-C4' energy: -62.197
flat angles C4'-P-C4' energy: -75.412
flat angles P-C4'-P energy: -40.715
tors. eta vs tors. theta energy: -70.352
Dist. restrs. and SS energy: 4.426 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -892.467591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.467591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.427783 (E_RNA)
where:
Base-Base interactions energy: -606.850
where: short stacking energy: -239.471
Base-Backbone interact. energy: -1.588
local terms energy: -293.989570
where:
bonds (distance) C4'-P energy: -61.945
bonds (distance) P-C4' energy: -58.013
flat angles C4'-P-C4' energy: -67.277
flat angles P-C4'-P energy: -42.728
tors. eta vs tors. theta energy: -64.026
Dist. restrs. and SS energy: 9.960 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -886.100703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.100703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.666752 (E_RNA)
where:
Base-Base interactions energy: -632.698
where: short stacking energy: -254.003
Base-Backbone interact. energy: -1.425
local terms energy: -256.543916
where:
bonds (distance) C4'-P energy: -42.086
bonds (distance) P-C4' energy: -56.651
flat angles C4'-P-C4' energy: -69.323
flat angles P-C4'-P energy: -25.348
tors. eta vs tors. theta energy: -63.137
Dist. restrs. and SS energy: 4.566 (S_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: -803.361121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.361121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.459504 (E_RNA)
where:
Base-Base interactions energy: -571.332
where: short stacking energy: -238.942
Base-Backbone interact. energy: 0.870
local terms energy: -252.997526
where:
bonds (distance) C4'-P energy: -54.867
bonds (distance) P-C4' energy: -46.359
flat angles C4'-P-C4' energy: -59.012
flat angles P-C4'-P energy: -35.413
tors. eta vs tors. theta energy: -57.346
Dist. restrs. and SS energy: 20.098 (S_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: 19
Temperature: 0.900000
Total energy: -1150.177734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.177734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.163420 (E_RNA)
where:
Base-Base interactions energy: -816.326
where: short stacking energy: -346.951
Base-Backbone interact. energy: -0.280
local terms energy: -337.557522
where:
bonds (distance) C4'-P energy: -66.761
bonds (distance) P-C4' energy: -70.173
flat angles C4'-P-C4' energy: -74.660
flat angles P-C4'-P energy: -38.632
tors. eta vs tors. theta energy: -87.331
Dist. restrs. and SS energy: 3.986 (S_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: 19
Temperature: 0.950000
Total energy: -1178.181559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.181559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.284106 (E_RNA)
where:
Base-Base interactions energy: -825.119
where: short stacking energy: -329.284
Base-Backbone interact. energy: -3.136
local terms energy: -353.029138
where:
bonds (distance) C4'-P energy: -63.360
bonds (distance) P-C4' energy: -69.454
flat angles C4'-P-C4' energy: -66.950
flat angles P-C4'-P energy: -55.072
tors. eta vs tors. theta energy: -98.192
Dist. restrs. and SS energy: 3.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -1058.148008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.148008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.953689 (E_RNA)
where:
Base-Base interactions energy: -732.488
where: short stacking energy: -293.112
Base-Backbone interact. energy: -3.650
local terms energy: -328.815674
where:
bonds (distance) C4'-P energy: -63.408
bonds (distance) P-C4' energy: -67.593
flat angles C4'-P-C4' energy: -67.275
flat angles P-C4'-P energy: -49.464
tors. eta vs tors. theta energy: -81.075
Dist. restrs. and SS energy: 6.806 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -1061.692621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.692621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.307183 (E_RNA)
where:
Base-Base interactions energy: -743.325
where: short stacking energy: -302.400
Base-Backbone interact. energy: -2.443
local terms energy: -322.539633
where:
bonds (distance) C4'-P energy: -59.578
bonds (distance) P-C4' energy: -59.576
flat angles C4'-P-C4' energy: -71.957
flat angles P-C4'-P energy: -43.622
tors. eta vs tors. theta energy: -87.807
Dist. restrs. and SS energy: 6.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -1017.190526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.190526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.786860 (E_RNA)
where:
Base-Base interactions energy: -707.937
where: short stacking energy: -301.547
Base-Backbone interact. energy: -1.858
local terms energy: -311.991726
where:
bonds (distance) C4'-P energy: -61.953
bonds (distance) P-C4' energy: -58.864
flat angles C4'-P-C4' energy: -74.289
flat angles P-C4'-P energy: -40.987
tors. eta vs tors. theta energy: -75.900
Dist. restrs. and SS energy: 4.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -984.012356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.012356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.425591 (E_RNA)
where:
Base-Base interactions energy: -680.504
where: short stacking energy: -271.883
Base-Backbone interact. energy: -0.968
local terms energy: -307.953689
where:
bonds (distance) C4'-P energy: -63.237
bonds (distance) P-C4' energy: -57.640
flat angles C4'-P-C4' energy: -55.480
flat angles P-C4'-P energy: -53.174
tors. eta vs tors. theta energy: -78.424
Dist. restrs. and SS energy: 5.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -947.852292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.852292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.422985 (E_RNA)
where:
Base-Base interactions energy: -657.757
where: short stacking energy: -258.710
Base-Backbone interact. energy: 1.772
local terms energy: -297.438204
where:
bonds (distance) C4'-P energy: -48.571
bonds (distance) P-C4' energy: -60.917
flat angles C4'-P-C4' energy: -66.828
flat angles P-C4'-P energy: -49.053
tors. eta vs tors. theta energy: -72.070
Dist. restrs. and SS energy: 5.571 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -871.513781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.513781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.909124 (E_RNA)
where:
Base-Base interactions energy: -610.386
where: short stacking energy: -243.741
Base-Backbone interact. energy: -0.151
local terms energy: -269.372165
where:
bonds (distance) C4'-P energy: -60.884
bonds (distance) P-C4' energy: -47.080
flat angles C4'-P-C4' energy: -56.709
flat angles P-C4'-P energy: -37.862
tors. eta vs tors. theta energy: -66.837
Dist. restrs. and SS energy: 8.395 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -880.618184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.618184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.700151 (E_RNA)
where:
Base-Base interactions energy: -615.697
where: short stacking energy: -232.354
Base-Backbone interact. energy: -1.131
local terms energy: -269.872677
where:
bonds (distance) C4'-P energy: -48.015
bonds (distance) P-C4' energy: -50.640
flat angles C4'-P-C4' energy: -61.007
flat angles P-C4'-P energy: -45.088
tors. eta vs tors. theta energy: -65.123
Dist. restrs. and SS energy: 6.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -766.586624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.586624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.494737 (E_RNA)
where:
Base-Base interactions energy: -541.742
where: short stacking energy: -228.261
Base-Backbone interact. energy: -0.873
local terms energy: -235.879584
where:
bonds (distance) C4'-P energy: -42.911
bonds (distance) P-C4' energy: -54.304
flat angles C4'-P-C4' energy: -44.002
flat angles P-C4'-P energy: -44.943
tors. eta vs tors. theta energy: -49.720
Dist. restrs. and SS energy: 11.908 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -1219.599255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.599255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.871268 (E_RNA)
where:
Base-Base interactions energy: -846.184
where: short stacking energy: -351.873
Base-Backbone interact. energy: 0.151
local terms energy: -376.838194
where:
bonds (distance) C4'-P energy: -69.855
bonds (distance) P-C4' energy: -66.809
flat angles C4'-P-C4' energy: -75.846
flat angles P-C4'-P energy: -60.313
tors. eta vs tors. theta energy: -104.016
Dist. restrs. and SS energy: 3.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -1100.370657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.370657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.358477 (E_RNA)
where:
Base-Base interactions energy: -779.207
where: short stacking energy: -310.188
Base-Backbone interact. energy: -2.206
local terms energy: -322.946357
where:
bonds (distance) C4'-P energy: -58.327
bonds (distance) P-C4' energy: -64.321
flat angles C4'-P-C4' energy: -80.297
flat angles P-C4'-P energy: -40.593
tors. eta vs tors. theta energy: -79.408
Dist. restrs. and SS energy: 3.988 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -1083.909996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.909996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.497425 (E_RNA)
where:
Base-Base interactions energy: -764.120
where: short stacking energy: -315.607
Base-Backbone interact. energy: -3.377
local terms energy: -322.000983
where:
bonds (distance) C4'-P energy: -56.027
bonds (distance) P-C4' energy: -61.475
flat angles C4'-P-C4' energy: -76.747
flat angles P-C4'-P energy: -50.371
tors. eta vs tors. theta energy: -77.380
Dist. restrs. and SS energy: 5.587 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -1031.226524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.226524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.568902 (E_RNA)
where:
Base-Base interactions energy: -737.345
where: short stacking energy: -279.107
Base-Backbone interact. energy: -0.045
local terms energy: -303.178876
where:
bonds (distance) C4'-P energy: -66.957
bonds (distance) P-C4' energy: -66.914
flat angles C4'-P-C4' energy: -68.220
flat angles P-C4'-P energy: -40.475
tors. eta vs tors. theta energy: -60.613
Dist. restrs. and SS energy: 9.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -1014.379436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.379436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.341961 (E_RNA)
where:
Base-Base interactions energy: -711.044
where: short stacking energy: -275.297
Base-Backbone interact. energy: -1.774
local terms energy: -306.523792
where:
bonds (distance) C4'-P energy: -52.736
bonds (distance) P-C4' energy: -60.493
flat angles C4'-P-C4' energy: -73.640
flat angles P-C4'-P energy: -47.791
tors. eta vs tors. theta energy: -71.864
Dist. restrs. and SS energy: 4.963 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -991.694932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.694932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.982298 (E_RNA)
where:
Base-Base interactions energy: -706.929
where: short stacking energy: -289.568
Base-Backbone interact. energy: -1.002
local terms energy: -287.050747
where:
bonds (distance) C4'-P energy: -46.263
bonds (distance) P-C4' energy: -58.841
flat angles C4'-P-C4' energy: -61.234
flat angles P-C4'-P energy: -39.436
tors. eta vs tors. theta energy: -81.278
Dist. restrs. and SS energy: 3.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -913.018744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.018744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.407059 (E_RNA)
where:
Base-Base interactions energy: -639.594
where: short stacking energy: -237.357
Base-Backbone interact. energy: 5.061
local terms energy: -285.874048
where:
bonds (distance) C4'-P energy: -61.154
bonds (distance) P-C4' energy: -56.133
flat angles C4'-P-C4' energy: -74.529
flat angles P-C4'-P energy: -40.343
tors. eta vs tors. theta energy: -53.715
Dist. restrs. and SS energy: 7.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -916.251632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.251632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.253830 (E_RNA)
where:
Base-Base interactions energy: -661.158
where: short stacking energy: -274.688
Base-Backbone interact. energy: -2.207
local terms energy: -262.888185
where:
bonds (distance) C4'-P energy: -42.189
bonds (distance) P-C4' energy: -50.205
flat angles C4'-P-C4' energy: -63.720
flat angles P-C4'-P energy: -39.545
tors. eta vs tors. theta energy: -67.229
Dist. restrs. and SS energy: 10.002 (S_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: 20
Temperature: 1.300000
Total energy: -895.963153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.963153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.905763 (E_RNA)
where:
Base-Base interactions energy: -627.906
where: short stacking energy: -257.762
Base-Backbone interact. energy: -2.029
local terms energy: -272.970476
where:
bonds (distance) C4'-P energy: -57.926
bonds (distance) P-C4' energy: -61.333
flat angles C4'-P-C4' energy: -50.110
flat angles P-C4'-P energy: -39.549
tors. eta vs tors. theta energy: -64.053
Dist. restrs. and SS energy: 6.943 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -800.535535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.535535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.310081 (E_RNA)
where:
Base-Base interactions energy: -569.680
where: short stacking energy: -221.803
Base-Backbone interact. energy: 2.381
local terms energy: -239.010670
where:
bonds (distance) C4'-P energy: -58.455
bonds (distance) P-C4' energy: -44.285
flat angles C4'-P-C4' energy: -51.837
flat angles P-C4'-P energy: -29.814
tors. eta vs tors. theta energy: -54.619
Dist. restrs. and SS energy: 5.775 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -1213.157940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.157940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.842292 (E_RNA)
where:
Base-Base interactions energy: -854.068
where: short stacking energy: -369.162
Base-Backbone interact. energy: -3.851
local terms energy: -358.923677
where:
bonds (distance) C4'-P energy: -69.231
bonds (distance) P-C4' energy: -70.130
flat angles C4'-P-C4' energy: -67.666
flat angles P-C4'-P energy: -48.551
tors. eta vs tors. theta energy: -103.346
Dist. restrs. and SS energy: 3.684 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -1122.342279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.342279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.577994 (E_RNA)
where:
Base-Base interactions energy: -783.723
where: short stacking energy: -321.910
Base-Backbone interact. energy: 0.375
local terms energy: -342.230159
where:
bonds (distance) C4'-P energy: -70.377
bonds (distance) P-C4' energy: -61.581
flat angles C4'-P-C4' energy: -71.456
flat angles P-C4'-P energy: -54.357
tors. eta vs tors. theta energy: -84.461
Dist. restrs. and SS energy: 3.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -1080.003291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.003291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.710557 (E_RNA)
where:
Base-Base interactions energy: -754.029
where: short stacking energy: -303.052
Base-Backbone interact. energy: -3.091
local terms energy: -328.590204
where:
bonds (distance) C4'-P energy: -59.348
bonds (distance) P-C4' energy: -73.387
flat angles C4'-P-C4' energy: -76.301
flat angles P-C4'-P energy: -45.297
tors. eta vs tors. theta energy: -74.257
Dist. restrs. and SS energy: 5.707 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -1016.523447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.523447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.243249 (E_RNA)
where:
Base-Base interactions energy: -708.566
where: short stacking energy: -291.731
Base-Backbone interact. energy: 0.762
local terms energy: -312.439386
where:
bonds (distance) C4'-P energy: -69.693
bonds (distance) P-C4' energy: -62.538
flat angles C4'-P-C4' energy: -61.587
flat angles P-C4'-P energy: -45.805
tors. eta vs tors. theta energy: -72.817
Dist. restrs. and SS energy: 3.720 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -984.972011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.972011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.459474 (E_RNA)
where:
Base-Base interactions energy: -688.317
where: short stacking energy: -261.732
Base-Backbone interact. energy: -0.877
local terms energy: -304.265857
where:
bonds (distance) C4'-P energy: -67.125
bonds (distance) P-C4' energy: -58.271
flat angles C4'-P-C4' energy: -71.587
flat angles P-C4'-P energy: -43.645
tors. eta vs tors. theta energy: -63.637
Dist. restrs. and SS energy: 8.487 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -993.978828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.978828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.843569 (E_RNA)
where:
Base-Base interactions energy: -699.010
where: short stacking energy: -285.208
Base-Backbone interact. energy: -2.663
local terms energy: -299.170760
where:
bonds (distance) C4'-P energy: -49.986
bonds (distance) P-C4' energy: -65.427
flat angles C4'-P-C4' energy: -69.150
flat angles P-C4'-P energy: -34.525
tors. eta vs tors. theta energy: -80.083
Dist. restrs. and SS energy: 6.865 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -912.538933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.538933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.499758 (E_RNA)
where:
Base-Base interactions energy: -634.323
where: short stacking energy: -260.337
Base-Backbone interact. energy: -2.680
local terms energy: -284.497457
where:
bonds (distance) C4'-P energy: -51.939
bonds (distance) P-C4' energy: -57.998
flat angles C4'-P-C4' energy: -74.213
flat angles P-C4'-P energy: -46.007
tors. eta vs tors. theta energy: -54.340
Dist. restrs. and SS energy: 8.961 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -901.090495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.090495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.151274 (E_RNA)
where:
Base-Base interactions energy: -633.028
where: short stacking energy: -260.860
Base-Backbone interact. energy: -1.158
local terms energy: -272.964682
where:
bonds (distance) C4'-P energy: -56.519
bonds (distance) P-C4' energy: -50.212
flat angles C4'-P-C4' energy: -60.790
flat angles P-C4'-P energy: -38.205
tors. eta vs tors. theta energy: -67.239
Dist. restrs. and SS energy: 6.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -878.159281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.159281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.613386 (E_RNA)
where:
Base-Base interactions energy: -617.113
where: short stacking energy: -251.724
Base-Backbone interact. energy: 3.730
local terms energy: -271.229831
where:
bonds (distance) C4'-P energy: -52.980
bonds (distance) P-C4' energy: -55.983
flat angles C4'-P-C4' energy: -57.378
flat angles P-C4'-P energy: -31.983
tors. eta vs tors. theta energy: -72.905
Dist. restrs. and SS energy: 6.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -827.680630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.680630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.330211 (E_RNA)
where:
Base-Base interactions energy: -565.669
where: short stacking energy: -236.274
Base-Backbone interact. energy: -1.713
local terms energy: -266.948754
where:
bonds (distance) C4'-P energy: -57.452
bonds (distance) P-C4' energy: -55.932
flat angles C4'-P-C4' energy: -58.913
flat angles P-C4'-P energy: -42.120
tors. eta vs tors. theta energy: -52.532
Dist. restrs. and SS energy: 6.650 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -1208.338488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.338488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.060216 (E_RNA)
where:
Base-Base interactions energy: -839.546
where: short stacking energy: -336.486
Base-Backbone interact. energy: -0.779
local terms energy: -370.734912
where:
bonds (distance) C4'-P energy: -68.872
bonds (distance) P-C4' energy: -76.041
flat angles C4'-P-C4' energy: -77.915
flat angles P-C4'-P energy: -47.992
tors. eta vs tors. theta energy: -99.915
Dist. restrs. and SS energy: 2.722 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -1124.325764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.325764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.280676 (E_RNA)
where:
Base-Base interactions energy: -797.266
where: short stacking energy: -326.984
Base-Backbone interact. energy: -0.653
local terms energy: -329.360842
where:
bonds (distance) C4'-P energy: -64.939
bonds (distance) P-C4' energy: -55.485
flat angles C4'-P-C4' energy: -72.354
flat angles P-C4'-P energy: -49.061
tors. eta vs tors. theta energy: -87.522
Dist. restrs. and SS energy: 2.955 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -1097.599664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.599664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.313442 (E_RNA)
where:
Base-Base interactions energy: -787.183
where: short stacking energy: -304.553
Base-Backbone interact. energy: -4.012
local terms energy: -316.118687
where:
bonds (distance) C4'-P energy: -59.799
bonds (distance) P-C4' energy: -60.131
flat angles C4'-P-C4' energy: -68.202
flat angles P-C4'-P energy: -49.890
tors. eta vs tors. theta energy: -78.097
Dist. restrs. and SS energy: 9.714 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -1045.138844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.138844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.892527 (E_RNA)
where:
Base-Base interactions energy: -734.650
where: short stacking energy: -295.250
Base-Backbone interact. energy: -2.223
local terms energy: -312.020079
where:
bonds (distance) C4'-P energy: -57.017
bonds (distance) P-C4' energy: -67.885
flat angles C4'-P-C4' energy: -57.639
flat angles P-C4'-P energy: -49.799
tors. eta vs tors. theta energy: -79.680
Dist. restrs. and SS energy: 3.754 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -1063.203600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.203600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.811468 (E_RNA)
where:
Base-Base interactions energy: -732.858
where: short stacking energy: -301.120
Base-Backbone interact. energy: -1.583
local terms energy: -334.370506
where:
bonds (distance) C4'-P energy: -58.068
bonds (distance) P-C4' energy: -64.435
flat angles C4'-P-C4' energy: -71.192
flat angles P-C4'-P energy: -54.391
tors. eta vs tors. theta energy: -86.284
Dist. restrs. and SS energy: 5.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -993.501102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.501102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.132880 (E_RNA)
where:
Base-Base interactions energy: -718.372
where: short stacking energy: -286.008
Base-Backbone interact. energy: 0.933
local terms energy: -283.693884
where:
bonds (distance) C4'-P energy: -62.569
bonds (distance) P-C4' energy: -49.909
flat angles C4'-P-C4' energy: -62.679
flat angles P-C4'-P energy: -41.578
tors. eta vs tors. theta energy: -66.958
Dist. restrs. and SS energy: 7.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -930.824295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.824295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.928775 (E_RNA)
where:
Base-Base interactions energy: -669.531
where: short stacking energy: -262.899
Base-Backbone interact. energy: -2.863
local terms energy: -264.534059
where:
bonds (distance) C4'-P energy: -51.141
bonds (distance) P-C4' energy: -54.618
flat angles C4'-P-C4' energy: -53.277
flat angles P-C4'-P energy: -40.945
tors. eta vs tors. theta energy: -64.553
Dist. restrs. and SS energy: 6.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -949.738936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.738936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.126757 (E_RNA)
where:
Base-Base interactions energy: -656.700
where: short stacking energy: -266.682
Base-Backbone interact. energy: -0.022
local terms energy: -301.405670
where:
bonds (distance) C4'-P energy: -58.988
bonds (distance) P-C4' energy: -60.707
flat angles C4'-P-C4' energy: -72.520
flat angles P-C4'-P energy: -42.656
tors. eta vs tors. theta energy: -66.535
Dist. restrs. and SS energy: 8.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -919.040927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.040927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.214396 (E_RNA)
where:
Base-Base interactions energy: -656.752
where: short stacking energy: -265.730
Base-Backbone interact. energy: -1.592
local terms energy: -269.870267
where:
bonds (distance) C4'-P energy: -48.845
bonds (distance) P-C4' energy: -57.977
flat angles C4'-P-C4' energy: -67.794
flat angles P-C4'-P energy: -34.981
tors. eta vs tors. theta energy: -60.273
Dist. restrs. and SS energy: 9.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -837.592508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.592508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.564741 (E_RNA)
where:
Base-Base interactions energy: -576.004
where: short stacking energy: -228.087
Base-Backbone interact. energy: -1.534
local terms energy: -266.026950
where:
bonds (distance) C4'-P energy: -51.605
bonds (distance) P-C4' energy: -55.945
flat angles C4'-P-C4' energy: -66.519
flat angles P-C4'-P energy: -38.299
tors. eta vs tors. theta energy: -53.659
Dist. restrs. and SS energy: 5.972 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -1211.155109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.155109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.468005 (E_RNA)
where:
Base-Base interactions energy: -850.586
where: short stacking energy: -348.041
Base-Backbone interact. energy: -2.876
local terms energy: -361.005952
where:
bonds (distance) C4'-P energy: -68.741
bonds (distance) P-C4' energy: -65.460
flat angles C4'-P-C4' energy: -76.185
flat angles P-C4'-P energy: -50.889
tors. eta vs tors. theta energy: -99.731
Dist. restrs. and SS energy: 3.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -1144.845594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.845594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.618309 (E_RNA)
where:
Base-Base interactions energy: -803.497
where: short stacking energy: -324.378
Base-Backbone interact. energy: -1.867
local terms energy: -345.254326
where:
bonds (distance) C4'-P energy: -63.630
bonds (distance) P-C4' energy: -55.877
flat angles C4'-P-C4' energy: -79.576
flat angles P-C4'-P energy: -59.476
tors. eta vs tors. theta energy: -86.696
Dist. restrs. and SS energy: 5.773 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -1099.052218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.052218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.190740 (E_RNA)
where:
Base-Base interactions energy: -779.691
where: short stacking energy: -308.662
Base-Backbone interact. energy: -0.386
local terms energy: -323.114265
where:
bonds (distance) C4'-P energy: -62.212
bonds (distance) P-C4' energy: -74.225
flat angles C4'-P-C4' energy: -62.297
flat angles P-C4'-P energy: -41.523
tors. eta vs tors. theta energy: -82.858
Dist. restrs. and SS energy: 4.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -1076.189558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.189558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.379473 (E_RNA)
where:
Base-Base interactions energy: -744.619
where: short stacking energy: -294.776
Base-Backbone interact. energy: -0.783
local terms energy: -333.977206
where:
bonds (distance) C4'-P energy: -62.029
bonds (distance) P-C4' energy: -68.533
flat angles C4'-P-C4' energy: -67.613
flat angles P-C4'-P energy: -46.003
tors. eta vs tors. theta energy: -89.800
Dist. restrs. and SS energy: 3.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -1000.737153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.737153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.238089 (E_RNA)
where:
Base-Base interactions energy: -704.202
where: short stacking energy: -280.212
Base-Backbone interact. energy: 0.262
local terms energy: -301.297764
where:
bonds (distance) C4'-P energy: -65.959
bonds (distance) P-C4' energy: -59.288
flat angles C4'-P-C4' energy: -70.932
flat angles P-C4'-P energy: -38.665
tors. eta vs tors. theta energy: -66.454
Dist. restrs. and SS energy: 4.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -954.392984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.392984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.131610 (E_RNA)
where:
Base-Base interactions energy: -678.971
where: short stacking energy: -299.205
Base-Backbone interact. energy: 3.068
local terms energy: -282.228929
where:
bonds (distance) C4'-P energy: -59.772
bonds (distance) P-C4' energy: -35.233
flat angles C4'-P-C4' energy: -68.773
flat angles P-C4'-P energy: -42.552
tors. eta vs tors. theta energy: -75.899
Dist. restrs. and SS energy: 3.739 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -909.155189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.155189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.511669 (E_RNA)
where:
Base-Base interactions energy: -619.618
where: short stacking energy: -247.100
Base-Backbone interact. energy: -1.721
local terms energy: -298.172739
where:
bonds (distance) C4'-P energy: -65.793
bonds (distance) P-C4' energy: -59.261
flat angles C4'-P-C4' energy: -62.327
flat angles P-C4'-P energy: -47.803
tors. eta vs tors. theta energy: -62.989
Dist. restrs. and SS energy: 10.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -929.846927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.846927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.270801 (E_RNA)
where:
Base-Base interactions energy: -655.300
where: short stacking energy: -256.715
Base-Backbone interact. energy: -0.877
local terms energy: -280.094299
where:
bonds (distance) C4'-P energy: -48.677
bonds (distance) P-C4' energy: -60.096
flat angles C4'-P-C4' energy: -65.292
flat angles P-C4'-P energy: -39.049
tors. eta vs tors. theta energy: -66.981
Dist. restrs. and SS energy: 6.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -913.038780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.038780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.889561 (E_RNA)
where:
Base-Base interactions energy: -646.477
where: short stacking energy: -262.702
Base-Backbone interact. energy: -0.232
local terms energy: -270.179818
where:
bonds (distance) C4'-P energy: -50.181
bonds (distance) P-C4' energy: -51.617
flat angles C4'-P-C4' energy: -64.387
flat angles P-C4'-P energy: -39.096
tors. eta vs tors. theta energy: -64.899
Dist. restrs. and SS energy: 3.851 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -799.127556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.127556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.104935 (E_RNA)
where:
Base-Base interactions energy: -577.108
where: short stacking energy: -224.732
Base-Backbone interact. energy: -1.531
local terms energy: -229.465795
where:
bonds (distance) C4'-P energy: -53.235
bonds (distance) P-C4' energy: -40.341
flat angles C4'-P-C4' energy: -57.109
flat angles P-C4'-P energy: -24.451
tors. eta vs tors. theta energy: -54.330
Dist. restrs. and SS energy: 8.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -1202.993350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.993350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.884570 (E_RNA)
where:
Base-Base interactions energy: -832.402
where: short stacking energy: -340.167
Base-Backbone interact. energy: -2.889
local terms energy: -370.593296
where:
bonds (distance) C4'-P energy: -69.804
bonds (distance) P-C4' energy: -74.809
flat angles C4'-P-C4' energy: -72.206
flat angles P-C4'-P energy: -54.232
tors. eta vs tors. theta energy: -99.543
Dist. restrs. and SS energy: 2.891 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -1122.122354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.122354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.375184 (E_RNA)
where:
Base-Base interactions energy: -769.926
where: short stacking energy: -321.873
Base-Backbone interact. energy: -2.008
local terms energy: -353.441320
where:
bonds (distance) C4'-P energy: -60.158
bonds (distance) P-C4' energy: -73.883
flat angles C4'-P-C4' energy: -84.876
flat angles P-C4'-P energy: -44.741
tors. eta vs tors. theta energy: -89.783
Dist. restrs. and SS energy: 3.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -1113.588503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.588503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.227076 (E_RNA)
where:
Base-Base interactions energy: -777.910
where: short stacking energy: -333.238
Base-Backbone interact. energy: -3.230
local terms energy: -336.086946
where:
bonds (distance) C4'-P energy: -58.125
bonds (distance) P-C4' energy: -66.378
flat angles C4'-P-C4' energy: -69.657
flat angles P-C4'-P energy: -53.211
tors. eta vs tors. theta energy: -88.715
Dist. restrs. and SS energy: 3.639 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -1064.536836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.536836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.907891 (E_RNA)
where:
Base-Base interactions energy: -734.699
where: short stacking energy: -315.983
Base-Backbone interact. energy: -1.243
local terms energy: -332.966047
where:
bonds (distance) C4'-P energy: -53.401
bonds (distance) P-C4' energy: -69.506
flat angles C4'-P-C4' energy: -71.917
flat angles P-C4'-P energy: -46.782
tors. eta vs tors. theta energy: -91.360
Dist. restrs. and SS energy: 4.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -1003.956661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.956661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.331432 (E_RNA)
where:
Base-Base interactions energy: -704.144
where: short stacking energy: -280.508
Base-Backbone interact. energy: -0.300
local terms energy: -302.887297
where:
bonds (distance) C4'-P energy: -63.425
bonds (distance) P-C4' energy: -57.485
flat angles C4'-P-C4' energy: -67.069
flat angles P-C4'-P energy: -38.365
tors. eta vs tors. theta energy: -76.542
Dist. restrs. and SS energy: 3.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -1003.715996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.715996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.180255 (E_RNA)
where:
Base-Base interactions energy: -691.261
where: short stacking energy: -263.847
Base-Backbone interact. energy: -3.068
local terms energy: -312.851282
where:
bonds (distance) C4'-P energy: -57.631
bonds (distance) P-C4' energy: -63.188
flat angles C4'-P-C4' energy: -64.885
flat angles P-C4'-P energy: -52.438
tors. eta vs tors. theta energy: -74.709
Dist. restrs. and SS energy: 3.464 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -968.019133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.019133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.325454 (E_RNA)
where:
Base-Base interactions energy: -679.552
where: short stacking energy: -257.074
Base-Backbone interact. energy: 0.141
local terms energy: -292.914201
where:
bonds (distance) C4'-P energy: -47.781
bonds (distance) P-C4' energy: -63.159
flat angles C4'-P-C4' energy: -67.902
flat angles P-C4'-P energy: -35.733
tors. eta vs tors. theta energy: -78.340
Dist. restrs. and SS energy: 4.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -894.882457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.882457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.024149 (E_RNA)
where:
Base-Base interactions energy: -623.952
where: short stacking energy: -248.020
Base-Backbone interact. energy: 3.467
local terms energy: -283.539248
where:
bonds (distance) C4'-P energy: -50.367
bonds (distance) P-C4' energy: -62.990
flat angles C4'-P-C4' energy: -60.670
flat angles P-C4'-P energy: -51.506
tors. eta vs tors. theta energy: -58.006
Dist. restrs. and SS energy: 9.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -899.306793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.306793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.039734 (E_RNA)
where:
Base-Base interactions energy: -638.465
where: short stacking energy: -258.347
Base-Backbone interact. energy: -1.285
local terms energy: -263.289572
where:
bonds (distance) C4'-P energy: -55.808
bonds (distance) P-C4' energy: -39.706
flat angles C4'-P-C4' energy: -68.273
flat angles P-C4'-P energy: -34.127
tors. eta vs tors. theta energy: -65.375
Dist. restrs. and SS energy: 3.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -838.130536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.130536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.439628 (E_RNA)
where:
Base-Base interactions energy: -606.564
where: short stacking energy: -243.367
Base-Backbone interact. energy: -0.411
local terms energy: -235.465035
where:
bonds (distance) C4'-P energy: -51.889
bonds (distance) P-C4' energy: -37.505
flat angles C4'-P-C4' energy: -54.679
flat angles P-C4'-P energy: -34.534
tors. eta vs tors. theta energy: -56.858
Dist. restrs. and SS energy: 4.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -1205.990476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.990476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.750608 (E_RNA)
where:
Base-Base interactions energy: -846.004
where: short stacking energy: -338.521
Base-Backbone interact. energy: -2.873
local terms energy: -360.874182
where:
bonds (distance) C4'-P energy: -65.521
bonds (distance) P-C4' energy: -76.634
flat angles C4'-P-C4' energy: -73.796
flat angles P-C4'-P energy: -49.349
tors. eta vs tors. theta energy: -95.576
Dist. restrs. and SS energy: 3.760 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -1133.044320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.044320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.134948 (E_RNA)
where:
Base-Base interactions energy: -800.567
where: short stacking energy: -331.079
Base-Backbone interact. energy: 0.722
local terms energy: -337.290794
where:
bonds (distance) C4'-P energy: -71.565
bonds (distance) P-C4' energy: -65.763
flat angles C4'-P-C4' energy: -69.670
flat angles P-C4'-P energy: -47.845
tors. eta vs tors. theta energy: -82.448
Dist. restrs. and SS energy: 4.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -1092.338509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.338509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.013736 (E_RNA)
where:
Base-Base interactions energy: -789.621
where: short stacking energy: -322.083
Base-Backbone interact. energy: 1.923
local terms energy: -308.315715
where:
bonds (distance) C4'-P energy: -55.583
bonds (distance) P-C4' energy: -57.422
flat angles C4'-P-C4' energy: -67.600
flat angles P-C4'-P energy: -48.217
tors. eta vs tors. theta energy: -79.494
Dist. restrs. and SS energy: 3.675 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -1081.855435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.855435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.780260 (E_RNA)
where:
Base-Base interactions energy: -759.159
where: short stacking energy: -306.399
Base-Backbone interact. energy: 1.838
local terms energy: -328.458562
where:
bonds (distance) C4'-P energy: -47.788
bonds (distance) P-C4' energy: -67.780
flat angles C4'-P-C4' energy: -66.465
flat angles P-C4'-P energy: -53.694
tors. eta vs tors. theta energy: -92.732
Dist. restrs. and SS energy: 3.925 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -990.082664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.082664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.395150 (E_RNA)
where:
Base-Base interactions energy: -681.624
where: short stacking energy: -271.871
Base-Backbone interact. energy: 1.148
local terms energy: -315.919627
where:
bonds (distance) C4'-P energy: -62.076
bonds (distance) P-C4' energy: -64.803
flat angles C4'-P-C4' energy: -66.414
flat angles P-C4'-P energy: -47.599
tors. eta vs tors. theta energy: -75.027
Dist. restrs. and SS energy: 6.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -1005.477538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.477538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.360140 (E_RNA)
where:
Base-Base interactions energy: -705.414
where: short stacking energy: -311.533
Base-Backbone interact. energy: -1.513
local terms energy: -304.432832
where:
bonds (distance) C4'-P energy: -54.736
bonds (distance) P-C4' energy: -65.451
flat angles C4'-P-C4' energy: -61.504
flat angles P-C4'-P energy: -38.496
tors. eta vs tors. theta energy: -84.246
Dist. restrs. and SS energy: 5.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -939.036751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.036751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.701223 (E_RNA)
where:
Base-Base interactions energy: -662.811
where: short stacking energy: -252.895
Base-Backbone interact. energy: 0.039
local terms energy: -280.928773
where:
bonds (distance) C4'-P energy: -62.168
bonds (distance) P-C4' energy: -56.480
flat angles C4'-P-C4' energy: -47.711
flat angles P-C4'-P energy: -46.814
tors. eta vs tors. theta energy: -67.756
Dist. restrs. and SS energy: 4.664 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -960.611233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.611233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.258728 (E_RNA)
where:
Base-Base interactions energy: -677.788
where: short stacking energy: -265.401
Base-Backbone interact. energy: -1.529
local terms energy: -283.941627
where:
bonds (distance) C4'-P energy: -53.530
bonds (distance) P-C4' energy: -54.297
flat angles C4'-P-C4' energy: -59.964
flat angles P-C4'-P energy: -42.265
tors. eta vs tors. theta energy: -73.885
Dist. restrs. and SS energy: 2.647 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -898.585779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.585779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.980994 (E_RNA)
where:
Base-Base interactions energy: -633.716
where: short stacking energy: -244.237
Base-Backbone interact. energy: -1.455
local terms energy: -267.810507
where:
bonds (distance) C4'-P energy: -50.582
bonds (distance) P-C4' energy: -53.008
flat angles C4'-P-C4' energy: -69.087
flat angles P-C4'-P energy: -32.747
tors. eta vs tors. theta energy: -62.386
Dist. restrs. and SS energy: 4.395 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -834.598387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.598387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.654069 (E_RNA)
where:
Base-Base interactions energy: -564.221
where: short stacking energy: -213.399
Base-Backbone interact. energy: 0.178
local terms energy: -281.610832
where:
bonds (distance) C4'-P energy: -52.383
bonds (distance) P-C4' energy: -59.640
flat angles C4'-P-C4' energy: -63.988
flat angles P-C4'-P energy: -49.696
tors. eta vs tors. theta energy: -55.903
Dist. restrs. and SS energy: 11.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -1205.618369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.618369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.889454 (E_RNA)
where:
Base-Base interactions energy: -836.776
where: short stacking energy: -345.673
Base-Backbone interact. energy: -4.212
local terms energy: -367.900999
where:
bonds (distance) C4'-P energy: -70.603
bonds (distance) P-C4' energy: -77.832
flat angles C4'-P-C4' energy: -70.034
flat angles P-C4'-P energy: -48.999
tors. eta vs tors. theta energy: -100.432
Dist. restrs. and SS energy: 3.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -1149.916995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.916995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.326011 (E_RNA)
where:
Base-Base interactions energy: -811.194
where: short stacking energy: -341.952
Base-Backbone interact. energy: -2.185
local terms energy: -342.947699
where:
bonds (distance) C4'-P energy: -57.850
bonds (distance) P-C4' energy: -62.094
flat angles C4'-P-C4' energy: -77.593
flat angles P-C4'-P energy: -54.790
tors. eta vs tors. theta energy: -90.620
Dist. restrs. and SS energy: 6.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -1120.852887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.852887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.879097 (E_RNA)
where:
Base-Base interactions energy: -794.541
where: short stacking energy: -325.305
Base-Backbone interact. energy: 1.093
local terms energy: -330.430739
where:
bonds (distance) C4'-P energy: -61.374
bonds (distance) P-C4' energy: -64.847
flat angles C4'-P-C4' energy: -72.430
flat angles P-C4'-P energy: -48.120
tors. eta vs tors. theta energy: -83.660
Dist. restrs. and SS energy: 3.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -1088.307502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.307502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.613951 (E_RNA)
where:
Base-Base interactions energy: -774.687
where: short stacking energy: -322.483
Base-Backbone interact. energy: -4.185
local terms energy: -312.741243
where:
bonds (distance) C4'-P energy: -46.867
bonds (distance) P-C4' energy: -68.533
flat angles C4'-P-C4' energy: -66.989
flat angles P-C4'-P energy: -41.120
tors. eta vs tors. theta energy: -89.232
Dist. restrs. and SS energy: 3.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -1036.223265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.223265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.061665 (E_RNA)
where:
Base-Base interactions energy: -717.146
where: short stacking energy: -309.403
Base-Backbone interact. energy: -2.076
local terms energy: -320.839415
where:
bonds (distance) C4'-P energy: -48.609
bonds (distance) P-C4' energy: -67.546
flat angles C4'-P-C4' energy: -65.804
flat angles P-C4'-P energy: -50.985
tors. eta vs tors. theta energy: -87.896
Dist. restrs. and SS energy: 3.838 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -1004.434831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.434831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.962782 (E_RNA)
where:
Base-Base interactions energy: -694.648
where: short stacking energy: -293.627
Base-Backbone interact. energy: 2.591
local terms energy: -319.905941
where:
bonds (distance) C4'-P energy: -70.594
bonds (distance) P-C4' energy: -61.137
flat angles C4'-P-C4' energy: -56.340
flat angles P-C4'-P energy: -44.899
tors. eta vs tors. theta energy: -86.935
Dist. restrs. and SS energy: 7.528 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -971.913191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.913191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.067155 (E_RNA)
where:
Base-Base interactions energy: -661.551
where: short stacking energy: -270.474
Base-Backbone interact. energy: 2.978
local terms energy: -317.494842
where:
bonds (distance) C4'-P energy: -58.414
bonds (distance) P-C4' energy: -62.235
flat angles C4'-P-C4' energy: -68.665
flat angles P-C4'-P energy: -45.977
tors. eta vs tors. theta energy: -82.204
Dist. restrs. and SS energy: 4.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -894.390843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.390843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.525461 (E_RNA)
where:
Base-Base interactions energy: -621.682
where: short stacking energy: -231.025
Base-Backbone interact. energy: -0.686
local terms energy: -279.157304
where:
bonds (distance) C4'-P energy: -57.208
bonds (distance) P-C4' energy: -47.878
flat angles C4'-P-C4' energy: -66.933
flat angles P-C4'-P energy: -44.859
tors. eta vs tors. theta energy: -62.279
Dist. restrs. and SS energy: 7.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -882.558752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.558752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.521576 (E_RNA)
where:
Base-Base interactions energy: -608.675
where: short stacking energy: -259.553
Base-Backbone interact. energy: -2.203
local terms energy: -275.643728
where:
bonds (distance) C4'-P energy: -57.659
bonds (distance) P-C4' energy: -50.909
flat angles C4'-P-C4' energy: -54.597
flat angles P-C4'-P energy: -41.353
tors. eta vs tors. theta energy: -71.127
Dist. restrs. and SS energy: 3.963 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -848.960022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.960022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.812341 (E_RNA)
where:
Base-Base interactions energy: -601.514
where: short stacking energy: -234.899
Base-Backbone interact. energy: -0.728
local terms energy: -250.570667
where:
bonds (distance) C4'-P energy: -46.834
bonds (distance) P-C4' energy: -55.027
flat angles C4'-P-C4' energy: -63.191
flat angles P-C4'-P energy: -29.976
tors. eta vs tors. theta energy: -55.543
Dist. restrs. and SS energy: 3.852 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -1218.139337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.139337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.179148 (E_RNA)
where:
Base-Base interactions energy: -862.681
where: short stacking energy: -350.363
Base-Backbone interact. energy: -3.950
local terms energy: -354.547846
where:
bonds (distance) C4'-P energy: -62.300
bonds (distance) P-C4' energy: -66.809
flat angles C4'-P-C4' energy: -80.044
flat angles P-C4'-P energy: -46.261
tors. eta vs tors. theta energy: -99.133
Dist. restrs. and SS energy: 3.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -1175.078521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.078521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.760955 (E_RNA)
where:
Base-Base interactions energy: -836.448
where: short stacking energy: -337.807
Base-Backbone interact. energy: 3.091
local terms energy: -344.404552
where:
bonds (distance) C4'-P energy: -66.099
bonds (distance) P-C4' energy: -58.658
flat angles C4'-P-C4' energy: -76.064
flat angles P-C4'-P energy: -52.699
tors. eta vs tors. theta energy: -90.885
Dist. restrs. and SS energy: 2.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -1118.524674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.524674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.301019 (E_RNA)
where:
Base-Base interactions energy: -784.438
where: short stacking energy: -321.617
Base-Backbone interact. energy: -5.006
local terms energy: -332.856502
where:
bonds (distance) C4'-P energy: -62.382
bonds (distance) P-C4' energy: -61.636
flat angles C4'-P-C4' energy: -66.778
flat angles P-C4'-P energy: -54.257
tors. eta vs tors. theta energy: -87.804
Dist. restrs. and SS energy: 3.776 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -1121.959950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.959950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.875738 (E_RNA)
where:
Base-Base interactions energy: -778.010
where: short stacking energy: -326.775
Base-Backbone interact. energy: 1.047
local terms energy: -347.913100
where:
bonds (distance) C4'-P energy: -61.129
bonds (distance) P-C4' energy: -64.496
flat angles C4'-P-C4' energy: -75.303
flat angles P-C4'-P energy: -54.708
tors. eta vs tors. theta energy: -92.277
Dist. restrs. and SS energy: 2.916 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -1013.767693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.767693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.688799 (E_RNA)
where:
Base-Base interactions energy: -700.312
where: short stacking energy: -311.157
Base-Backbone interact. energy: -0.003
local terms energy: -318.373785
where:
bonds (distance) C4'-P energy: -66.059
bonds (distance) P-C4' energy: -54.744
flat angles C4'-P-C4' energy: -74.583
flat angles P-C4'-P energy: -49.515
tors. eta vs tors. theta energy: -73.473
Dist. restrs. and SS energy: 4.921 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -990.535698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.535698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.865111 (E_RNA)
where:
Base-Base interactions energy: -680.514
where: short stacking energy: -292.081
Base-Backbone interact. energy: -1.288
local terms energy: -320.062365
where:
bonds (distance) C4'-P energy: -56.205
bonds (distance) P-C4' energy: -77.488
flat angles C4'-P-C4' energy: -69.322
flat angles P-C4'-P energy: -38.782
tors. eta vs tors. theta energy: -78.266
Dist. restrs. and SS energy: 11.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -943.192989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.192989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.302105 (E_RNA)
where:
Base-Base interactions energy: -687.613
where: short stacking energy: -260.352
Base-Backbone interact. energy: -0.050
local terms energy: -259.638500
where:
bonds (distance) C4'-P energy: -58.440
bonds (distance) P-C4' energy: -52.889
flat angles C4'-P-C4' energy: -58.588
flat angles P-C4'-P energy: -35.815
tors. eta vs tors. theta energy: -53.907
Dist. restrs. and SS energy: 4.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -894.886262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.886262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.838437 (E_RNA)
where:
Base-Base interactions energy: -638.840
where: short stacking energy: -248.536
Base-Backbone interact. energy: -2.641
local terms energy: -257.357626
where:
bonds (distance) C4'-P energy: -44.613
bonds (distance) P-C4' energy: -52.455
flat angles C4'-P-C4' energy: -58.322
flat angles P-C4'-P energy: -50.306
tors. eta vs tors. theta energy: -51.662
Dist. restrs. and SS energy: 3.952 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -885.136816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.136816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.846758 (E_RNA)
where:
Base-Base interactions energy: -631.331
where: short stacking energy: -241.024
Base-Backbone interact. energy: -1.533
local terms energy: -258.982947
where:
bonds (distance) C4'-P energy: -59.901
bonds (distance) P-C4' energy: -53.919
flat angles C4'-P-C4' energy: -58.052
flat angles P-C4'-P energy: -38.019
tors. eta vs tors. theta energy: -49.093
Dist. restrs. and SS energy: 6.710 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -835.322178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.322178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.962215 (E_RNA)
where:
Base-Base interactions energy: -605.345
where: short stacking energy: -241.276
Base-Backbone interact. energy: -1.049
local terms energy: -239.568262
where:
bonds (distance) C4'-P energy: -43.440
bonds (distance) P-C4' energy: -54.102
flat angles C4'-P-C4' energy: -50.949
flat angles P-C4'-P energy: -33.291
tors. eta vs tors. theta energy: -57.787
Dist. restrs. and SS energy: 10.640 (S_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: 28
Temperature: 0.900000
Total energy: -1211.305649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.305649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.366710 (E_RNA)
where:
Base-Base interactions energy: -839.434
where: short stacking energy: -332.077
Base-Backbone interact. energy: -3.247
local terms energy: -371.686111
where:
bonds (distance) C4'-P energy: -73.007
bonds (distance) P-C4' energy: -72.666
flat angles C4'-P-C4' energy: -76.959
flat angles P-C4'-P energy: -52.380
tors. eta vs tors. theta energy: -96.673
Dist. restrs. and SS energy: 3.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -1195.700666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.700666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.859459 (E_RNA)
where:
Base-Base interactions energy: -833.149
where: short stacking energy: -328.041
Base-Backbone interact. energy: -2.111
local terms energy: -363.598901
where:
bonds (distance) C4'-P energy: -64.394
bonds (distance) P-C4' energy: -65.999
flat angles C4'-P-C4' energy: -82.933
flat angles P-C4'-P energy: -53.705
tors. eta vs tors. theta energy: -96.567
Dist. restrs. and SS energy: 3.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -1101.236478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.236478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.933468 (E_RNA)
where:
Base-Base interactions energy: -775.825
where: short stacking energy: -321.018
Base-Backbone interact. energy: -1.663
local terms energy: -330.446027
where:
bonds (distance) C4'-P energy: -65.425
bonds (distance) P-C4' energy: -56.597
flat angles C4'-P-C4' energy: -76.876
flat angles P-C4'-P energy: -50.894
tors. eta vs tors. theta energy: -80.653
Dist. restrs. and SS energy: 6.697 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -1130.876786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.876786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.775199 (E_RNA)
where:
Base-Base interactions energy: -799.359
where: short stacking energy: -303.932
Base-Backbone interact. energy: 0.891
local terms energy: -337.307794
where:
bonds (distance) C4'-P energy: -60.363
bonds (distance) P-C4' energy: -64.110
flat angles C4'-P-C4' energy: -75.198
flat angles P-C4'-P energy: -46.228
tors. eta vs tors. theta energy: -91.408
Dist. restrs. and SS energy: 4.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -998.577656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.577656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.855637 (E_RNA)
where:
Base-Base interactions energy: -689.461
where: short stacking energy: -257.407
Base-Backbone interact. energy: -4.902
local terms energy: -307.493344
where:
bonds (distance) C4'-P energy: -65.702
bonds (distance) P-C4' energy: -62.030
flat angles C4'-P-C4' energy: -72.112
flat angles P-C4'-P energy: -30.496
tors. eta vs tors. theta energy: -77.154
Dist. restrs. and SS energy: 3.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -967.596871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.596871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.947002 (E_RNA)
where:
Base-Base interactions energy: -679.866
where: short stacking energy: -268.145
Base-Backbone interact. energy: -2.054
local terms energy: -289.027416
where:
bonds (distance) C4'-P energy: -50.540
bonds (distance) P-C4' energy: -65.419
flat angles C4'-P-C4' energy: -68.874
flat angles P-C4'-P energy: -34.872
tors. eta vs tors. theta energy: -69.321
Dist. restrs. and SS energy: 3.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -960.698698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.698698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.683080 (E_RNA)
where:
Base-Base interactions energy: -682.873
where: short stacking energy: -253.326
Base-Backbone interact. energy: 1.068
local terms energy: -281.877344
where:
bonds (distance) C4'-P energy: -60.146
bonds (distance) P-C4' energy: -59.754
flat angles C4'-P-C4' energy: -59.548
flat angles P-C4'-P energy: -41.162
tors. eta vs tors. theta energy: -61.267
Dist. restrs. and SS energy: 2.984 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -904.595060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.595060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.268612 (E_RNA)
where:
Base-Base interactions energy: -650.148
where: short stacking energy: -240.239
Base-Backbone interact. energy: -3.538
local terms energy: -257.582434
where:
bonds (distance) C4'-P energy: -51.734
bonds (distance) P-C4' energy: -51.071
flat angles C4'-P-C4' energy: -64.696
flat angles P-C4'-P energy: -33.716
tors. eta vs tors. theta energy: -56.365
Dist. restrs. and SS energy: 6.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -846.005931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.005931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.745975 (E_RNA)
where:
Base-Base interactions energy: -594.833
where: short stacking energy: -225.086
Base-Backbone interact. energy: 1.958
local terms energy: -261.871099
where:
bonds (distance) C4'-P energy: -58.822
bonds (distance) P-C4' energy: -51.612
flat angles C4'-P-C4' energy: -46.743
flat angles P-C4'-P energy: -45.950
tors. eta vs tors. theta energy: -58.744
Dist. restrs. and SS energy: 8.740 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -881.701165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.701165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.263522 (E_RNA)
where:
Base-Base interactions energy: -623.900
where: short stacking energy: -244.601
Base-Backbone interact. energy: 0.894
local terms energy: -267.257912
where:
bonds (distance) C4'-P energy: -51.101
bonds (distance) P-C4' energy: -55.887
flat angles C4'-P-C4' energy: -61.168
flat angles P-C4'-P energy: -38.659
tors. eta vs tors. theta energy: -60.443
Dist. restrs. and SS energy: 8.562 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -1207.898281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.898281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.396851 (E_RNA)
where:
Base-Base interactions energy: -867.790
where: short stacking energy: -349.030
Base-Backbone interact. energy: -2.593
local terms energy: -341.013981
where:
bonds (distance) C4'-P energy: -49.644
bonds (distance) P-C4' energy: -66.835
flat angles C4'-P-C4' energy: -74.956
flat angles P-C4'-P energy: -53.810
tors. eta vs tors. theta energy: -95.769
Dist. restrs. and SS energy: 3.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -1192.596778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.596778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.021421 (E_RNA)
where:
Base-Base interactions energy: -840.752
where: short stacking energy: -345.537
Base-Backbone interact. energy: -3.898
local terms energy: -350.371617
where:
bonds (distance) C4'-P energy: -63.955
bonds (distance) P-C4' energy: -68.707
flat angles C4'-P-C4' energy: -73.787
flat angles P-C4'-P energy: -47.158
tors. eta vs tors. theta energy: -96.764
Dist. restrs. and SS energy: 2.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -1113.137557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.137557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.302368 (E_RNA)
where:
Base-Base interactions energy: -789.936
where: short stacking energy: -293.769
Base-Backbone interact. energy: -2.096
local terms energy: -324.271143
where:
bonds (distance) C4'-P energy: -53.755
bonds (distance) P-C4' energy: -68.530
flat angles C4'-P-C4' energy: -71.181
flat angles P-C4'-P energy: -51.895
tors. eta vs tors. theta energy: -78.911
Dist. restrs. and SS energy: 3.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -1123.706525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.706525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.946775 (E_RNA)
where:
Base-Base interactions energy: -795.371
where: short stacking energy: -322.757
Base-Backbone interact. energy: -1.969
local terms energy: -330.606418
where:
bonds (distance) C4'-P energy: -58.475
bonds (distance) P-C4' energy: -67.519
flat angles C4'-P-C4' energy: -71.202
flat angles P-C4'-P energy: -41.041
tors. eta vs tors. theta energy: -92.368
Dist. restrs. and SS energy: 4.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -1042.728923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.728923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.871908 (E_RNA)
where:
Base-Base interactions energy: -727.618
where: short stacking energy: -293.601
Base-Backbone interact. energy: -0.650
local terms energy: -320.603555
where:
bonds (distance) C4'-P energy: -57.452
bonds (distance) P-C4' energy: -54.422
flat angles C4'-P-C4' energy: -77.376
flat angles P-C4'-P energy: -46.321
tors. eta vs tors. theta energy: -85.032
Dist. restrs. and SS energy: 6.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -968.226648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.226648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.054565 (E_RNA)
where:
Base-Base interactions energy: -664.576
where: short stacking energy: -269.092
Base-Backbone interact. energy: 1.334
local terms energy: -309.811755
where:
bonds (distance) C4'-P energy: -63.712
bonds (distance) P-C4' energy: -64.232
flat angles C4'-P-C4' energy: -60.685
flat angles P-C4'-P energy: -50.362
tors. eta vs tors. theta energy: -70.821
Dist. restrs. and SS energy: 4.828 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -978.890271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.890271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.014572 (E_RNA)
where:
Base-Base interactions energy: -701.333
where: short stacking energy: -250.490
Base-Backbone interact. energy: -2.444
local terms energy: -280.237065
where:
bonds (distance) C4'-P energy: -55.007
bonds (distance) P-C4' energy: -59.099
flat angles C4'-P-C4' energy: -62.076
flat angles P-C4'-P energy: -37.222
tors. eta vs tors. theta energy: -66.833
Dist. restrs. and SS energy: 5.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -878.125709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.125709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.449692 (E_RNA)
where:
Base-Base interactions energy: -618.284
where: short stacking energy: -257.098
Base-Backbone interact. energy: -1.164
local terms energy: -267.001375
where:
bonds (distance) C4'-P energy: -62.077
bonds (distance) P-C4' energy: -49.037
flat angles C4'-P-C4' energy: -58.936
flat angles P-C4'-P energy: -35.653
tors. eta vs tors. theta energy: -61.299
Dist. restrs. and SS energy: 8.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -863.470066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.470066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.800671 (E_RNA)
where:
Base-Base interactions energy: -610.253
where: short stacking energy: -234.663
Base-Backbone interact. energy: -0.897
local terms energy: -257.650365
where:
bonds (distance) C4'-P energy: -58.000
bonds (distance) P-C4' energy: -73.806
flat angles C4'-P-C4' energy: -50.857
flat angles P-C4'-P energy: -24.750
tors. eta vs tors. theta energy: -50.238
Dist. restrs. and SS energy: 5.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -863.168796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.168796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.661377 (E_RNA)
where:
Base-Base interactions energy: -625.916
where: short stacking energy: -241.747
Base-Backbone interact. energy: 0.937
local terms energy: -247.681738
where:
bonds (distance) C4'-P energy: -49.326
bonds (distance) P-C4' energy: -56.003
flat angles C4'-P-C4' energy: -59.198
flat angles P-C4'-P energy: -34.233
tors. eta vs tors. theta energy: -48.922
Dist. restrs. and SS energy: 9.493 (S_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: 30
Temperature: 0.900000
Total energy: -1210.448398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.448398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.682560 (E_RNA)
where:
Base-Base interactions energy: -851.594
where: short stacking energy: -343.541
Base-Backbone interact. energy: -4.268
local terms energy: -357.820272
where:
bonds (distance) C4'-P energy: -66.964
bonds (distance) P-C4' energy: -71.989
flat angles C4'-P-C4' energy: -69.695
flat angles P-C4'-P energy: -49.160
tors. eta vs tors. theta energy: -100.012
Dist. restrs. and SS energy: 3.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -1191.621232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.621232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.809552 (E_RNA)
where:
Base-Base interactions energy: -861.317
where: short stacking energy: -346.442
Base-Backbone interact. energy: 0.718
local terms energy: -336.210298
where:
bonds (distance) C4'-P energy: -56.627
bonds (distance) P-C4' energy: -67.661
flat angles C4'-P-C4' energy: -74.156
flat angles P-C4'-P energy: -44.566
tors. eta vs tors. theta energy: -93.201
Dist. restrs. and SS energy: 5.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -1133.697311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.697311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.531237 (E_RNA)
where:
Base-Base interactions energy: -803.657
where: short stacking energy: -325.892
Base-Backbone interact. energy: -1.222
local terms energy: -332.652629
where:
bonds (distance) C4'-P energy: -57.206
bonds (distance) P-C4' energy: -68.375
flat angles C4'-P-C4' energy: -72.202
flat angles P-C4'-P energy: -39.126
tors. eta vs tors. theta energy: -95.743
Dist. restrs. and SS energy: 3.834 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -1090.947064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.947064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.168228 (E_RNA)
where:
Base-Base interactions energy: -764.156
where: short stacking energy: -320.259
Base-Backbone interact. energy: 1.522
local terms energy: -333.534394
where:
bonds (distance) C4'-P energy: -55.801
bonds (distance) P-C4' energy: -73.190
flat angles C4'-P-C4' energy: -67.001
flat angles P-C4'-P energy: -54.649
tors. eta vs tors. theta energy: -82.893
Dist. restrs. and SS energy: 5.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -992.680449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.680449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.407003 (E_RNA)
where:
Base-Base interactions energy: -693.005
where: short stacking energy: -278.741
Base-Backbone interact. energy: 3.729
local terms energy: -309.131468
where:
bonds (distance) C4'-P energy: -58.251
bonds (distance) P-C4' energy: -66.390
flat angles C4'-P-C4' energy: -71.734
flat angles P-C4'-P energy: -46.214
tors. eta vs tors. theta energy: -66.542
Dist. restrs. and SS energy: 5.727 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -1032.548405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.548405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.818853 (E_RNA)
where:
Base-Base interactions energy: -711.851
where: short stacking energy: -276.276
Base-Backbone interact. energy: -3.212
local terms energy: -321.756066
where:
bonds (distance) C4'-P energy: -59.988
bonds (distance) P-C4' energy: -68.228
flat angles C4'-P-C4' energy: -73.363
flat angles P-C4'-P energy: -38.550
tors. eta vs tors. theta energy: -81.627
Dist. restrs. and SS energy: 4.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -1001.836690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.836690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.638774 (E_RNA)
where:
Base-Base interactions energy: -740.395
where: short stacking energy: -287.040
Base-Backbone interact. energy: -2.284
local terms energy: -261.959587
where:
bonds (distance) C4'-P energy: -43.317
bonds (distance) P-C4' energy: -45.246
flat angles C4'-P-C4' energy: -67.452
flat angles P-C4'-P energy: -35.555
tors. eta vs tors. theta energy: -70.389
Dist. restrs. and SS energy: 2.802 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -959.008335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.008335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.935829 (E_RNA)
where:
Base-Base interactions energy: -689.632
where: short stacking energy: -274.075
Base-Backbone interact. energy: -1.563
local terms energy: -271.740635
where:
bonds (distance) C4'-P energy: -64.463
bonds (distance) P-C4' energy: -52.558
flat angles C4'-P-C4' energy: -63.612
flat angles P-C4'-P energy: -39.224
tors. eta vs tors. theta energy: -51.884
Dist. restrs. and SS energy: 3.927 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -875.400898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.400898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.346907 (E_RNA)
where:
Base-Base interactions energy: -640.392
where: short stacking energy: -251.851
Base-Backbone interact. energy: 4.845
local terms energy: -243.800462
where:
bonds (distance) C4'-P energy: -44.863
bonds (distance) P-C4' energy: -55.436
flat angles C4'-P-C4' energy: -54.368
flat angles P-C4'-P energy: -33.267
tors. eta vs tors. theta energy: -55.867
Dist. restrs. and SS energy: 3.946 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -832.614036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.614036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.682359 (E_RNA)
where:
Base-Base interactions energy: -590.892
where: short stacking energy: -222.402
Base-Backbone interact. energy: 7.002
local terms energy: -257.792627
where:
bonds (distance) C4'-P energy: -49.395
bonds (distance) P-C4' energy: -56.671
flat angles C4'-P-C4' energy: -63.017
flat angles P-C4'-P energy: -38.888
tors. eta vs tors. theta energy: -49.822
Dist. restrs. and SS energy: 9.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -1212.479345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.479345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.483078 (E_RNA)
where:
Base-Base interactions energy: -847.356
where: short stacking energy: -344.370
Base-Backbone interact. energy: -2.782
local terms energy: -365.344675
where:
bonds (distance) C4'-P energy: -64.640
bonds (distance) P-C4' energy: -67.549
flat angles C4'-P-C4' energy: -76.207
flat angles P-C4'-P energy: -56.016
tors. eta vs tors. theta energy: -100.931
Dist. restrs. and SS energy: 3.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -1165.618981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.618981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.403706 (E_RNA)
where:
Base-Base interactions energy: -827.261
where: short stacking energy: -332.407
Base-Backbone interact. energy: -3.755
local terms energy: -337.387054
where:
bonds (distance) C4'-P energy: -61.619
bonds (distance) P-C4' energy: -68.957
flat angles C4'-P-C4' energy: -66.637
flat angles P-C4'-P energy: -46.167
tors. eta vs tors. theta energy: -94.008
Dist. restrs. and SS energy: 2.785 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -1116.983956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.983956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.333828 (E_RNA)
where:
Base-Base interactions energy: -784.792
where: short stacking energy: -322.389
Base-Backbone interact. energy: -2.396
local terms energy: -336.145547
where:
bonds (distance) C4'-P energy: -58.719
bonds (distance) P-C4' energy: -65.985
flat angles C4'-P-C4' energy: -70.951
flat angles P-C4'-P energy: -45.118
tors. eta vs tors. theta energy: -95.373
Dist. restrs. and SS energy: 6.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -1049.194967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.194967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.621575 (E_RNA)
where:
Base-Base interactions energy: -729.672
where: short stacking energy: -289.379
Base-Backbone interact. energy: -2.247
local terms energy: -321.703222
where:
bonds (distance) C4'-P energy: -62.327
bonds (distance) P-C4' energy: -58.311
flat angles C4'-P-C4' energy: -75.834
flat angles P-C4'-P energy: -47.339
tors. eta vs tors. theta energy: -77.892
Dist. restrs. and SS energy: 4.427 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -1030.887912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.887912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.178160 (E_RNA)
where:
Base-Base interactions energy: -716.771
where: short stacking energy: -296.992
Base-Backbone interact. energy: -0.281
local terms energy: -319.126398
where:
bonds (distance) C4'-P energy: -66.441
bonds (distance) P-C4' energy: -61.350
flat angles C4'-P-C4' energy: -69.290
flat angles P-C4'-P energy: -45.694
tors. eta vs tors. theta energy: -76.352
Dist. restrs. and SS energy: 5.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -1028.770110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.770110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.470712 (E_RNA)
where:
Base-Base interactions energy: -733.317
where: short stacking energy: -287.374
Base-Backbone interact. energy: -1.912
local terms energy: -296.241713
where:
bonds (distance) C4'-P energy: -53.310
bonds (distance) P-C4' energy: -56.004
flat angles C4'-P-C4' energy: -65.071
flat angles P-C4'-P energy: -44.315
tors. eta vs tors. theta energy: -77.541
Dist. restrs. and SS energy: 2.701 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -986.969930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.969930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.843267 (E_RNA)
where:
Base-Base interactions energy: -687.897
where: short stacking energy: -268.288
Base-Backbone interact. energy: -0.404
local terms energy: -301.542126
where:
bonds (distance) C4'-P energy: -49.863
bonds (distance) P-C4' energy: -59.592
flat angles C4'-P-C4' energy: -67.125
flat angles P-C4'-P energy: -45.489
tors. eta vs tors. theta energy: -79.473
Dist. restrs. and SS energy: 2.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -905.398593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.398593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.306018 (E_RNA)
where:
Base-Base interactions energy: -631.487
where: short stacking energy: -245.907
Base-Backbone interact. energy: -3.351
local terms energy: -275.468666
where:
bonds (distance) C4'-P energy: -44.896
bonds (distance) P-C4' energy: -57.493
flat angles C4'-P-C4' energy: -64.051
flat angles P-C4'-P energy: -41.270
tors. eta vs tors. theta energy: -67.758
Dist. restrs. and SS energy: 4.907 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -916.454602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.454602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.947236 (E_RNA)
where:
Base-Base interactions energy: -644.821
where: short stacking energy: -250.744
Base-Backbone interact. energy: -1.040
local terms energy: -274.086126
where:
bonds (distance) C4'-P energy: -50.315
bonds (distance) P-C4' energy: -62.378
flat angles C4'-P-C4' energy: -64.826
flat angles P-C4'-P energy: -38.400
tors. eta vs tors. theta energy: -58.168
Dist. restrs. and SS energy: 3.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -825.885874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.885874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.477639 (E_RNA)
where:
Base-Base interactions energy: -586.797
where: short stacking energy: -232.986
Base-Backbone interact. energy: -2.065
local terms energy: -245.615261
where:
bonds (distance) C4'-P energy: -65.144
bonds (distance) P-C4' energy: -49.382
flat angles C4'-P-C4' energy: -52.601
flat angles P-C4'-P energy: -34.854
tors. eta vs tors. theta energy: -43.634
Dist. restrs. and SS energy: 8.592 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -1214.282438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.282438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.403918 (E_RNA)
where:
Base-Base interactions energy: -842.643
where: short stacking energy: -334.962
Base-Backbone interact. energy: -4.102
local terms energy: -370.658901
where:
bonds (distance) C4'-P energy: -77.224
bonds (distance) P-C4' energy: -67.021
flat angles C4'-P-C4' energy: -78.126
flat angles P-C4'-P energy: -48.524
tors. eta vs tors. theta energy: -99.765
Dist. restrs. and SS energy: 3.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -1195.858728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.858728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.712714 (E_RNA)
where:
Base-Base interactions energy: -844.542
where: short stacking energy: -352.639
Base-Backbone interact. energy: -1.495
local terms energy: -353.676327
where:
bonds (distance) C4'-P energy: -57.021
bonds (distance) P-C4' energy: -64.080
flat angles C4'-P-C4' energy: -81.318
flat angles P-C4'-P energy: -55.361
tors. eta vs tors. theta energy: -95.896
Dist. restrs. and SS energy: 3.854 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -1169.900795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.900795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.125467 (E_RNA)
where:
Base-Base interactions energy: -807.678
where: short stacking energy: -329.421
Base-Backbone interact. energy: 6.323
local terms energy: -371.770500
where:
bonds (distance) C4'-P energy: -70.161
bonds (distance) P-C4' energy: -67.088
flat angles C4'-P-C4' energy: -77.109
flat angles P-C4'-P energy: -56.600
tors. eta vs tors. theta energy: -100.813
Dist. restrs. and SS energy: 3.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -1065.510275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.510275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.689649 (E_RNA)
where:
Base-Base interactions energy: -743.807
where: short stacking energy: -322.056
Base-Backbone interact. energy: -2.444
local terms energy: -324.439011
where:
bonds (distance) C4'-P energy: -55.222
bonds (distance) P-C4' energy: -64.212
flat angles C4'-P-C4' energy: -61.216
flat angles P-C4'-P energy: -56.966
tors. eta vs tors. theta energy: -86.824
Dist. restrs. and SS energy: 5.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -993.371221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.371221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.816411 (E_RNA)
where:
Base-Base interactions energy: -694.610
where: short stacking energy: -273.836
Base-Backbone interact. energy: -0.638
local terms energy: -306.567792
where:
bonds (distance) C4'-P energy: -61.946
bonds (distance) P-C4' energy: -60.586
flat angles C4'-P-C4' energy: -68.661
flat angles P-C4'-P energy: -42.884
tors. eta vs tors. theta energy: -72.490
Dist. restrs. and SS energy: 8.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -1024.420289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.420289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.624509 (E_RNA)
where:
Base-Base interactions energy: -706.681
where: short stacking energy: -283.171
Base-Backbone interact. energy: -2.581
local terms energy: -319.362438
where:
bonds (distance) C4'-P energy: -58.930
bonds (distance) P-C4' energy: -53.141
flat angles C4'-P-C4' energy: -70.657
flat angles P-C4'-P energy: -50.769
tors. eta vs tors. theta energy: -85.866
Dist. restrs. and SS energy: 4.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -963.776393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.776393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.488587 (E_RNA)
where:
Base-Base interactions energy: -671.840
where: short stacking energy: -266.280
Base-Backbone interact. energy: 3.665
local terms energy: -299.313454
where:
bonds (distance) C4'-P energy: -64.636
bonds (distance) P-C4' energy: -56.802
flat angles C4'-P-C4' energy: -70.311
flat angles P-C4'-P energy: -39.539
tors. eta vs tors. theta energy: -68.026
Dist. restrs. and SS energy: 3.712 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -893.252759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.252759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.084750 (E_RNA)
where:
Base-Base interactions energy: -649.066
where: short stacking energy: -254.196
Base-Backbone interact. energy: -1.414
local terms energy: -247.605050
where:
bonds (distance) C4'-P energy: -45.478
bonds (distance) P-C4' energy: -48.766
flat angles C4'-P-C4' energy: -60.809
flat angles P-C4'-P energy: -32.550
tors. eta vs tors. theta energy: -60.002
Dist. restrs. and SS energy: 4.832 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -886.627248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.627248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.298895 (E_RNA)
where:
Base-Base interactions energy: -621.794
where: short stacking energy: -238.684
Base-Backbone interact. energy: -1.058
local terms energy: -267.447171
where:
bonds (distance) C4'-P energy: -57.875
bonds (distance) P-C4' energy: -57.494
flat angles C4'-P-C4' energy: -54.760
flat angles P-C4'-P energy: -43.621
tors. eta vs tors. theta energy: -53.697
Dist. restrs. and SS energy: 3.672 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -807.395944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.395944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.538540 (E_RNA)
where:
Base-Base interactions energy: -543.607
where: short stacking energy: -215.164
Base-Backbone interact. energy: -2.324
local terms energy: -271.607131
where:
bonds (distance) C4'-P energy: -53.614
bonds (distance) P-C4' energy: -61.272
flat angles C4'-P-C4' energy: -66.555
flat angles P-C4'-P energy: -45.010
tors. eta vs tors. theta energy: -45.156
Dist. restrs. and SS energy: 10.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -1207.555293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.555293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.538559 (E_RNA)
where:
Base-Base interactions energy: -857.949
where: short stacking energy: -345.644
Base-Backbone interact. energy: -2.898
local terms energy: -349.691960
where:
bonds (distance) C4'-P energy: -60.281
bonds (distance) P-C4' energy: -61.921
flat angles C4'-P-C4' energy: -78.382
flat angles P-C4'-P energy: -53.921
tors. eta vs tors. theta energy: -95.186
Dist. restrs. and SS energy: 2.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -1200.022089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.022089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.184916 (E_RNA)
where:
Base-Base interactions energy: -829.730
where: short stacking energy: -344.609
Base-Backbone interact. energy: -2.001
local terms energy: -371.454263
where:
bonds (distance) C4'-P energy: -76.683
bonds (distance) P-C4' energy: -61.682
flat angles C4'-P-C4' energy: -80.498
flat angles P-C4'-P energy: -52.800
tors. eta vs tors. theta energy: -99.791
Dist. restrs. and SS energy: 3.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -1147.825136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.825136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.929914 (E_RNA)
where:
Base-Base interactions energy: -808.446
where: short stacking energy: -327.560
Base-Backbone interact. energy: -2.143
local terms energy: -341.341618
where:
bonds (distance) C4'-P energy: -57.027
bonds (distance) P-C4' energy: -69.523
flat angles C4'-P-C4' energy: -66.424
flat angles P-C4'-P energy: -53.295
tors. eta vs tors. theta energy: -95.074
Dist. restrs. and SS energy: 4.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -1073.585205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.585205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.657583 (E_RNA)
where:
Base-Base interactions energy: -744.523
where: short stacking energy: -306.015
Base-Backbone interact. energy: -1.627
local terms energy: -332.507130
where:
bonds (distance) C4'-P energy: -66.896
bonds (distance) P-C4' energy: -62.527
flat angles C4'-P-C4' energy: -70.192
flat angles P-C4'-P energy: -51.359
tors. eta vs tors. theta energy: -81.533
Dist. restrs. and SS energy: 5.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -979.074847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.074847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.058580 (E_RNA)
where:
Base-Base interactions energy: -674.500
where: short stacking energy: -271.001
Base-Backbone interact. energy: -0.180
local terms energy: -311.378730
where:
bonds (distance) C4'-P energy: -66.411
bonds (distance) P-C4' energy: -58.199
flat angles C4'-P-C4' energy: -60.408
flat angles P-C4'-P energy: -51.890
tors. eta vs tors. theta energy: -74.471
Dist. restrs. and SS energy: 6.984 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -969.960301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.960301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.343942 (E_RNA)
where:
Base-Base interactions energy: -679.321
where: short stacking energy: -272.174
Base-Backbone interact. energy: -1.744
local terms energy: -292.279139
where:
bonds (distance) C4'-P energy: -67.150
bonds (distance) P-C4' energy: -59.846
flat angles C4'-P-C4' energy: -57.571
flat angles P-C4'-P energy: -37.805
tors. eta vs tors. theta energy: -69.907
Dist. restrs. and SS energy: 3.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -985.472579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.472579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.353244 (E_RNA)
where:
Base-Base interactions energy: -706.249
where: short stacking energy: -270.693
Base-Backbone interact. energy: -0.959
local terms energy: -285.144430
where:
bonds (distance) C4'-P energy: -50.161
bonds (distance) P-C4' energy: -57.399
flat angles C4'-P-C4' energy: -67.944
flat angles P-C4'-P energy: -44.840
tors. eta vs tors. theta energy: -64.800
Dist. restrs. and SS energy: 6.881 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -931.782083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.782083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.902308 (E_RNA)
where:
Base-Base interactions energy: -637.692
where: short stacking energy: -251.541
Base-Backbone interact. energy: -0.519
local terms energy: -299.691008
where:
bonds (distance) C4'-P energy: -62.837
bonds (distance) P-C4' energy: -57.681
flat angles C4'-P-C4' energy: -65.849
flat angles P-C4'-P energy: -45.655
tors. eta vs tors. theta energy: -67.671
Dist. restrs. and SS energy: 6.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -850.834647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.834647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.722449 (E_RNA)
where:
Base-Base interactions energy: -587.049
where: short stacking energy: -232.085
Base-Backbone interact. energy: -0.865
local terms energy: -266.807659
where:
bonds (distance) C4'-P energy: -48.861
bonds (distance) P-C4' energy: -55.570
flat angles C4'-P-C4' energy: -67.121
flat angles P-C4'-P energy: -44.783
tors. eta vs tors. theta energy: -50.472
Dist. restrs. and SS energy: 3.888 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -800.704722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.704722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.663681 (E_RNA)
where:
Base-Base interactions energy: -560.448
where: short stacking energy: -212.411
Base-Backbone interact. energy: -1.206
local terms energy: -254.010145
where:
bonds (distance) C4'-P energy: -53.944
bonds (distance) P-C4' energy: -52.523
flat angles C4'-P-C4' energy: -56.889
flat angles P-C4'-P energy: -37.532
tors. eta vs tors. theta energy: -53.122
Dist. restrs. and SS energy: 14.959 (S_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: 34
Temperature: 0.900000
Total energy: -1211.045901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.045901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.772809 (E_RNA)
where:
Base-Base interactions energy: -847.602
where: short stacking energy: -339.147
Base-Backbone interact. energy: -2.846
local terms energy: -365.324833
where:
bonds (distance) C4'-P energy: -69.751
bonds (distance) P-C4' energy: -65.932
flat angles C4'-P-C4' energy: -80.219
flat angles P-C4'-P energy: -49.243
tors. eta vs tors. theta energy: -100.178
Dist. restrs. and SS energy: 4.727 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -1209.055825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.055825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.049759 (E_RNA)
where:
Base-Base interactions energy: -854.862
where: short stacking energy: -340.501
Base-Backbone interact. energy: -1.672
local terms energy: -355.515090
where:
bonds (distance) C4'-P energy: -73.064
bonds (distance) P-C4' energy: -61.893
flat angles C4'-P-C4' energy: -77.538
flat angles P-C4'-P energy: -49.212
tors. eta vs tors. theta energy: -93.808
Dist. restrs. and SS energy: 2.994 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -1138.639754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.639754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.626145 (E_RNA)
where:
Base-Base interactions energy: -804.895
where: short stacking energy: -318.207
Base-Backbone interact. energy: 1.763
local terms energy: -339.494112
where:
bonds (distance) C4'-P energy: -56.028
bonds (distance) P-C4' energy: -62.767
flat angles C4'-P-C4' energy: -78.236
flat angles P-C4'-P energy: -53.896
tors. eta vs tors. theta energy: -88.568
Dist. restrs. and SS energy: 3.986 (S_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: 34
Temperature: 1.050000
Total energy: -1059.989068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.989068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.306543 (E_RNA)
where:
Base-Base interactions energy: -752.177
where: short stacking energy: -304.161
Base-Backbone interact. energy: -1.173
local terms energy: -309.956131
where:
bonds (distance) C4'-P energy: -62.643
bonds (distance) P-C4' energy: -58.719
flat angles C4'-P-C4' energy: -68.759
flat angles P-C4'-P energy: -41.682
tors. eta vs tors. theta energy: -78.154
Dist. restrs. and SS energy: 3.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -972.664239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.664239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.407406 (E_RNA)
where:
Base-Base interactions energy: -663.705
where: short stacking energy: -260.480
Base-Backbone interact. energy: -2.813
local terms energy: -312.889983
where:
bonds (distance) C4'-P energy: -69.929
bonds (distance) P-C4' energy: -67.731
flat angles C4'-P-C4' energy: -70.090
flat angles P-C4'-P energy: -39.346
tors. eta vs tors. theta energy: -65.793
Dist. restrs. and SS energy: 6.743 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -986.097121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.097121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.475227 (E_RNA)
where:
Base-Base interactions energy: -663.337
where: short stacking energy: -266.477
Base-Backbone interact. energy: 0.184
local terms energy: -326.322417
where:
bonds (distance) C4'-P energy: -69.858
bonds (distance) P-C4' energy: -69.829
flat angles C4'-P-C4' energy: -71.061
flat angles P-C4'-P energy: -43.604
tors. eta vs tors. theta energy: -71.970
Dist. restrs. and SS energy: 3.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -982.196059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.196059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.021658 (E_RNA)
where:
Base-Base interactions energy: -689.257
where: short stacking energy: -273.469
Base-Backbone interact. energy: -2.131
local terms energy: -296.633793
where:
bonds (distance) C4'-P energy: -50.203
bonds (distance) P-C4' energy: -68.023
flat angles C4'-P-C4' energy: -55.781
flat angles P-C4'-P energy: -55.121
tors. eta vs tors. theta energy: -67.506
Dist. restrs. and SS energy: 5.826 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -906.791926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.791926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.677525 (E_RNA)
where:
Base-Base interactions energy: -625.382
where: short stacking energy: -227.099
Base-Backbone interact. energy: -0.545
local terms energy: -284.750888
where:
bonds (distance) C4'-P energy: -51.077
bonds (distance) P-C4' energy: -63.127
flat angles C4'-P-C4' energy: -61.453
flat angles P-C4'-P energy: -55.313
tors. eta vs tors. theta energy: -53.780
Dist. restrs. and SS energy: 3.886 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -841.386679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.386679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.373964 (E_RNA)
where:
Base-Base interactions energy: -579.954
where: short stacking energy: -213.480
Base-Backbone interact. energy: -1.677
local terms energy: -264.742982
where:
bonds (distance) C4'-P energy: -58.552
bonds (distance) P-C4' energy: -57.762
flat angles C4'-P-C4' energy: -56.524
flat angles P-C4'-P energy: -39.497
tors. eta vs tors. theta energy: -52.408
Dist. restrs. and SS energy: 4.987 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -840.333586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.333586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.149273 (E_RNA)
where:
Base-Base interactions energy: -596.822
where: short stacking energy: -225.117
Base-Backbone interact. energy: -0.029
local terms energy: -255.297743
where:
bonds (distance) C4'-P energy: -42.536
bonds (distance) P-C4' energy: -56.397
flat angles C4'-P-C4' energy: -62.506
flat angles P-C4'-P energy: -39.820
tors. eta vs tors. theta energy: -54.038
Dist. restrs. and SS energy: 11.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -1211.815177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.815177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.011669 (E_RNA)
where:
Base-Base interactions energy: -841.574
where: short stacking energy: -356.085
Base-Backbone interact. energy: -2.174
local terms energy: -371.263916
where:
bonds (distance) C4'-P energy: -74.756
bonds (distance) P-C4' energy: -61.779
flat angles C4'-P-C4' energy: -78.286
flat angles P-C4'-P energy: -54.261
tors. eta vs tors. theta energy: -102.181
Dist. restrs. and SS energy: 3.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -1184.769194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.769194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.083522 (E_RNA)
where:
Base-Base interactions energy: -836.094
where: short stacking energy: -335.311
Base-Backbone interact. energy: -1.400
local terms energy: -351.589259
where:
bonds (distance) C4'-P energy: -65.504
bonds (distance) P-C4' energy: -61.307
flat angles C4'-P-C4' energy: -77.101
flat angles P-C4'-P energy: -50.484
tors. eta vs tors. theta energy: -97.193
Dist. restrs. and SS energy: 4.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -1116.705347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.705347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.859355 (E_RNA)
where:
Base-Base interactions energy: -794.427
where: short stacking energy: -307.142
Base-Backbone interact. energy: -2.851
local terms energy: -330.582163
where:
bonds (distance) C4'-P energy: -56.954
bonds (distance) P-C4' energy: -62.081
flat angles C4'-P-C4' energy: -73.665
flat angles P-C4'-P energy: -49.525
tors. eta vs tors. theta energy: -88.356
Dist. restrs. and SS energy: 11.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -1059.061334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.061334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.624810 (E_RNA)
where:
Base-Base interactions energy: -747.250
where: short stacking energy: -280.055
Base-Backbone interact. energy: -1.805
local terms energy: -313.569682
where:
bonds (distance) C4'-P energy: -61.542
bonds (distance) P-C4' energy: -62.837
flat angles C4'-P-C4' energy: -72.961
flat angles P-C4'-P energy: -40.954
tors. eta vs tors. theta energy: -75.276
Dist. restrs. and SS energy: 3.563 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -1055.860484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.860484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.999828 (E_RNA)
where:
Base-Base interactions energy: -739.791
where: short stacking energy: -294.528
Base-Backbone interact. energy: -0.760
local terms energy: -319.448826
where:
bonds (distance) C4'-P energy: -62.047
bonds (distance) P-C4' energy: -67.992
flat angles C4'-P-C4' energy: -64.310
flat angles P-C4'-P energy: -44.104
tors. eta vs tors. theta energy: -80.996
Dist. restrs. and SS energy: 4.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -993.689105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.689105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.323404 (E_RNA)
where:
Base-Base interactions energy: -679.028
where: short stacking energy: -275.723
Base-Backbone interact. energy: 2.154
local terms energy: -320.448803
where:
bonds (distance) C4'-P energy: -65.827
bonds (distance) P-C4' energy: -68.376
flat angles C4'-P-C4' energy: -70.498
flat angles P-C4'-P energy: -46.756
tors. eta vs tors. theta energy: -68.992
Dist. restrs. and SS energy: 3.634 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -990.374469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.374469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.886713 (E_RNA)
where:
Base-Base interactions energy: -705.879
where: short stacking energy: -280.694
Base-Backbone interact. energy: -4.175
local terms energy: -284.832699
where:
bonds (distance) C4'-P energy: -47.004
bonds (distance) P-C4' energy: -64.203
flat angles C4'-P-C4' energy: -71.538
flat angles P-C4'-P energy: -35.856
tors. eta vs tors. theta energy: -66.232
Dist. restrs. and SS energy: 4.512 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -927.997882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.997882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.298970 (E_RNA)
where:
Base-Base interactions energy: -649.233
where: short stacking energy: -243.070
Base-Backbone interact. energy: -0.338
local terms energy: -282.727888
where:
bonds (distance) C4'-P energy: -48.377
bonds (distance) P-C4' energy: -68.009
flat angles C4'-P-C4' energy: -68.215
flat angles P-C4'-P energy: -40.149
tors. eta vs tors. theta energy: -57.977
Dist. restrs. and SS energy: 4.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -861.575908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.575908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.729430 (E_RNA)
where:
Base-Base interactions energy: -599.764
where: short stacking energy: -227.903
Base-Backbone interact. energy: -0.516
local terms energy: -265.448897
where:
bonds (distance) C4'-P energy: -46.457
bonds (distance) P-C4' energy: -67.086
flat angles C4'-P-C4' energy: -60.836
flat angles P-C4'-P energy: -34.946
tors. eta vs tors. theta energy: -56.124
Dist. restrs. and SS energy: 4.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -825.238426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.238426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.135672 (E_RNA)
where:
Base-Base interactions energy: -585.850
where: short stacking energy: -231.551
Base-Backbone interact. energy: 2.841
local terms energy: -252.127259
where:
bonds (distance) C4'-P energy: -46.552
bonds (distance) P-C4' energy: -61.229
flat angles C4'-P-C4' energy: -49.471
flat angles P-C4'-P energy: -41.594
tors. eta vs tors. theta energy: -53.281
Dist. restrs. and SS energy: 9.897 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -1208.636424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.636424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.446549 (E_RNA)
where:
Base-Base interactions energy: -839.504
where: short stacking energy: -336.303
Base-Backbone interact. energy: -1.681
local terms energy: -372.260847
where:
bonds (distance) C4'-P energy: -69.327
bonds (distance) P-C4' energy: -68.809
flat angles C4'-P-C4' energy: -82.638
flat angles P-C4'-P energy: -56.121
tors. eta vs tors. theta energy: -95.366
Dist. restrs. and SS energy: 4.810 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -1181.168504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.168504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.059257 (E_RNA)
where:
Base-Base interactions energy: -815.064
where: short stacking energy: -347.879
Base-Backbone interact. energy: -1.681
local terms energy: -368.314144
where:
bonds (distance) C4'-P energy: -68.936
bonds (distance) P-C4' energy: -76.738
flat angles C4'-P-C4' energy: -70.807
flat angles P-C4'-P energy: -50.420
tors. eta vs tors. theta energy: -101.413
Dist. restrs. and SS energy: 3.891 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -1133.946024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.946024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.850204 (E_RNA)
where:
Base-Base interactions energy: -791.951
where: short stacking energy: -320.244
Base-Backbone interact. energy: -2.050
local terms energy: -348.850146
where:
bonds (distance) C4'-P energy: -73.782
bonds (distance) P-C4' energy: -64.817
flat angles C4'-P-C4' energy: -75.765
flat angles P-C4'-P energy: -46.861
tors. eta vs tors. theta energy: -87.625
Dist. restrs. and SS energy: 8.904 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -1064.332779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.332779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.455895 (E_RNA)
where:
Base-Base interactions energy: -740.398
where: short stacking energy: -299.637
Base-Backbone interact. energy: -3.581
local terms energy: -325.476337
where:
bonds (distance) C4'-P energy: -56.947
bonds (distance) P-C4' energy: -64.555
flat angles C4'-P-C4' energy: -75.350
flat angles P-C4'-P energy: -44.818
tors. eta vs tors. theta energy: -83.806
Dist. restrs. and SS energy: 5.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -1044.298170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.298170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.125097 (E_RNA)
where:
Base-Base interactions energy: -730.441
where: short stacking energy: -288.392
Base-Backbone interact. energy: -4.549
local terms energy: -313.135070
where:
bonds (distance) C4'-P energy: -72.776
bonds (distance) P-C4' energy: -57.879
flat angles C4'-P-C4' energy: -65.715
flat angles P-C4'-P energy: -39.879
tors. eta vs tors. theta energy: -76.887
Dist. restrs. and SS energy: 3.827 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -950.948694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.948694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.426191 (E_RNA)
where:
Base-Base interactions energy: -653.491
where: short stacking energy: -264.361
Base-Backbone interact. energy: -2.670
local terms energy: -298.264770
where:
bonds (distance) C4'-P energy: -56.373
bonds (distance) P-C4' energy: -67.631
flat angles C4'-P-C4' energy: -66.877
flat angles P-C4'-P energy: -37.084
tors. eta vs tors. theta energy: -70.300
Dist. restrs. and SS energy: 3.477 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -989.571136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.571136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.290089 (E_RNA)
where:
Base-Base interactions energy: -700.624
where: short stacking energy: -278.688
Base-Backbone interact. energy: -0.720
local terms energy: -292.946166
where:
bonds (distance) C4'-P energy: -52.719
bonds (distance) P-C4' energy: -54.134
flat angles C4'-P-C4' energy: -66.047
flat angles P-C4'-P energy: -43.384
tors. eta vs tors. theta energy: -76.663
Dist. restrs. and SS energy: 4.719 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -893.580100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.580100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.158661 (E_RNA)
where:
Base-Base interactions energy: -636.261
where: short stacking energy: -246.469
Base-Backbone interact. energy: 0.199
local terms energy: -261.096203
where:
bonds (distance) C4'-P energy: -42.393
bonds (distance) P-C4' energy: -65.746
flat angles C4'-P-C4' energy: -54.491
flat angles P-C4'-P energy: -41.437
tors. eta vs tors. theta energy: -57.029
Dist. restrs. and SS energy: 3.579 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -878.893921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.893921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.305438 (E_RNA)
where:
Base-Base interactions energy: -607.215
where: short stacking energy: -242.701
Base-Backbone interact. energy: -0.998
local terms energy: -275.092001
where:
bonds (distance) C4'-P energy: -57.610
bonds (distance) P-C4' energy: -56.558
flat angles C4'-P-C4' energy: -68.820
flat angles P-C4'-P energy: -37.536
tors. eta vs tors. theta energy: -54.569
Dist. restrs. and SS energy: 4.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -837.953255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.953255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.124850 (E_RNA)
where:
Base-Base interactions energy: -601.302
where: short stacking energy: -222.748
Base-Backbone interact. energy: 5.207
local terms energy: -246.030303
where:
bonds (distance) C4'-P energy: -58.816
bonds (distance) P-C4' energy: -53.861
flat angles C4'-P-C4' energy: -46.737
flat angles P-C4'-P energy: -33.501
tors. eta vs tors. theta energy: -53.114
Dist. restrs. and SS energy: 4.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -1208.938847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.938847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.683617 (E_RNA)
where:
Base-Base interactions energy: -842.995
where: short stacking energy: -352.006
Base-Backbone interact. energy: -0.154
local terms energy: -369.534515
where:
bonds (distance) C4'-P energy: -64.679
bonds (distance) P-C4' energy: -80.065
flat angles C4'-P-C4' energy: -76.619
flat angles P-C4'-P energy: -49.782
tors. eta vs tors. theta energy: -98.390
Dist. restrs. and SS energy: 3.745 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -1152.223582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.223582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.365478 (E_RNA)
where:
Base-Base interactions energy: -815.144
where: short stacking energy: -333.318
Base-Backbone interact. energy: -2.173
local terms energy: -338.048661
where:
bonds (distance) C4'-P energy: -62.384
bonds (distance) P-C4' energy: -54.049
flat angles C4'-P-C4' energy: -75.211
flat angles P-C4'-P energy: -46.625
tors. eta vs tors. theta energy: -99.781
Dist. restrs. and SS energy: 3.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -1157.795315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.795315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.955864 (E_RNA)
where:
Base-Base interactions energy: -787.763
where: short stacking energy: -324.521
Base-Backbone interact. energy: -3.280
local terms energy: -369.912808
where:
bonds (distance) C4'-P energy: -63.221
bonds (distance) P-C4' energy: -73.428
flat angles C4'-P-C4' energy: -73.851
flat angles P-C4'-P energy: -56.067
tors. eta vs tors. theta energy: -103.345
Dist. restrs. and SS energy: 3.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -1054.841866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.841866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.769334 (E_RNA)
where:
Base-Base interactions energy: -731.063
where: short stacking energy: -306.779
Base-Backbone interact. energy: -1.469
local terms energy: -328.237246
where:
bonds (distance) C4'-P energy: -67.713
bonds (distance) P-C4' energy: -60.022
flat angles C4'-P-C4' energy: -70.137
flat angles P-C4'-P energy: -46.732
tors. eta vs tors. theta energy: -83.633
Dist. restrs. and SS energy: 5.927 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -1025.909753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.909753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.836817 (E_RNA)
where:
Base-Base interactions energy: -701.835
where: short stacking energy: -280.540
Base-Backbone interact. energy: -3.009
local terms energy: -323.993617
where:
bonds (distance) C4'-P energy: -61.248
bonds (distance) P-C4' energy: -62.761
flat angles C4'-P-C4' energy: -75.979
flat angles P-C4'-P energy: -46.711
tors. eta vs tors. theta energy: -77.295
Dist. restrs. and SS energy: 2.927 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -985.698449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.698449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.696978 (E_RNA)
where:
Base-Base interactions energy: -689.279
where: short stacking energy: -273.085
Base-Backbone interact. energy: 0.382
local terms energy: -300.799464
where:
bonds (distance) C4'-P energy: -51.933
bonds (distance) P-C4' energy: -58.524
flat angles C4'-P-C4' energy: -72.428
flat angles P-C4'-P energy: -52.296
tors. eta vs tors. theta energy: -65.619
Dist. restrs. and SS energy: 3.999 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -929.574950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.574950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.993120 (E_RNA)
where:
Base-Base interactions energy: -641.026
where: short stacking energy: -248.448
Base-Backbone interact. energy: 2.933
local terms energy: -294.899898
where:
bonds (distance) C4'-P energy: -55.245
bonds (distance) P-C4' energy: -59.164
flat angles C4'-P-C4' energy: -62.188
flat angles P-C4'-P energy: -52.100
tors. eta vs tors. theta energy: -66.203
Dist. restrs. and SS energy: 3.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -919.341916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.341916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.678467 (E_RNA)
where:
Base-Base interactions energy: -648.882
where: short stacking energy: -247.522
Base-Backbone interact. energy: 0.783
local terms energy: -275.579272
where:
bonds (distance) C4'-P energy: -61.687
bonds (distance) P-C4' energy: -57.769
flat angles C4'-P-C4' energy: -66.563
flat angles P-C4'-P energy: -36.808
tors. eta vs tors. theta energy: -52.751
Dist. restrs. and SS energy: 4.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -897.418004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.418004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.831837 (E_RNA)
where:
Base-Base interactions energy: -642.266
where: short stacking energy: -258.608
Base-Backbone interact. energy: -1.733
local terms energy: -256.832540
where:
bonds (distance) C4'-P energy: -53.174
bonds (distance) P-C4' energy: -48.103
flat angles C4'-P-C4' energy: -56.951
flat angles P-C4'-P energy: -33.597
tors. eta vs tors. theta energy: -65.008
Dist. restrs. and SS energy: 3.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -852.632524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.632524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.540415 (E_RNA)
where:
Base-Base interactions energy: -607.998
where: short stacking energy: -235.558
Base-Backbone interact. energy: -1.643
local terms energy: -251.899611
where:
bonds (distance) C4'-P energy: -64.441
bonds (distance) P-C4' energy: -68.679
flat angles C4'-P-C4' energy: -48.365
flat angles P-C4'-P energy: -21.090
tors. eta vs tors. theta energy: -49.324
Dist. restrs. and SS energy: 8.908 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -1194.146355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.146355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.341574 (E_RNA)
where:
Base-Base interactions energy: -842.558
where: short stacking energy: -346.795
Base-Backbone interact. energy: -2.111
local terms energy: -352.672226
where:
bonds (distance) C4'-P energy: -65.496
bonds (distance) P-C4' energy: -57.192
flat angles C4'-P-C4' energy: -77.131
flat angles P-C4'-P energy: -55.312
tors. eta vs tors. theta energy: -97.541
Dist. restrs. and SS energy: 3.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -1184.704492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.704492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.401097 (E_RNA)
where:
Base-Base interactions energy: -831.371
where: short stacking energy: -334.246
Base-Backbone interact. energy: 1.370
local terms energy: -358.399561
where:
bonds (distance) C4'-P energy: -62.629
bonds (distance) P-C4' energy: -63.126
flat angles C4'-P-C4' energy: -81.516
flat angles P-C4'-P energy: -52.680
tors. eta vs tors. theta energy: -98.448
Dist. restrs. and SS energy: 3.697 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -1170.905028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.905028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.323733 (E_RNA)
where:
Base-Base interactions energy: -824.007
where: short stacking energy: -341.835
Base-Backbone interact. energy: 6.631
local terms energy: -355.947947
where:
bonds (distance) C4'-P energy: -61.705
bonds (distance) P-C4' energy: -67.988
flat angles C4'-P-C4' energy: -74.382
flat angles P-C4'-P energy: -48.631
tors. eta vs tors. theta energy: -103.242
Dist. restrs. and SS energy: 2.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -1058.209703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.209703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.899439 (E_RNA)
where:
Base-Base interactions energy: -751.495
where: short stacking energy: -300.912
Base-Backbone interact. energy: -1.687
local terms energy: -314.717025
where:
bonds (distance) C4'-P energy: -53.558
bonds (distance) P-C4' energy: -59.310
flat angles C4'-P-C4' energy: -68.917
flat angles P-C4'-P energy: -51.407
tors. eta vs tors. theta energy: -81.525
Dist. restrs. and SS energy: 9.690 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -1019.292000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.292000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.431699 (E_RNA)
where:
Base-Base interactions energy: -714.635
where: short stacking energy: -296.847
Base-Backbone interact. energy: -0.396
local terms energy: -307.401086
where:
bonds (distance) C4'-P energy: -60.533
bonds (distance) P-C4' energy: -63.505
flat angles C4'-P-C4' energy: -71.455
flat angles P-C4'-P energy: -45.534
tors. eta vs tors. theta energy: -66.373
Dist. restrs. and SS energy: 3.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -976.966432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.966432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.351221 (E_RNA)
where:
Base-Base interactions energy: -679.636
where: short stacking energy: -266.154
Base-Backbone interact. energy: -1.566
local terms energy: -305.149938
where:
bonds (distance) C4'-P energy: -58.525
bonds (distance) P-C4' energy: -65.136
flat angles C4'-P-C4' energy: -63.756
flat angles P-C4'-P energy: -45.645
tors. eta vs tors. theta energy: -72.088
Dist. restrs. and SS energy: 9.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -942.705839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.705839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.305458 (E_RNA)
where:
Base-Base interactions energy: -660.167
where: short stacking energy: -273.814
Base-Backbone interact. energy: 2.168
local terms energy: -291.306729
where:
bonds (distance) C4'-P energy: -51.904
bonds (distance) P-C4' energy: -60.995
flat angles C4'-P-C4' energy: -66.918
flat angles P-C4'-P energy: -44.168
tors. eta vs tors. theta energy: -67.321
Dist. restrs. and SS energy: 6.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -914.066232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.066232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.840113 (E_RNA)
where:
Base-Base interactions energy: -640.938
where: short stacking energy: -242.239
Base-Backbone interact. energy: -0.548
local terms energy: -277.354277
where:
bonds (distance) C4'-P energy: -52.813
bonds (distance) P-C4' energy: -61.316
flat angles C4'-P-C4' energy: -58.507
flat angles P-C4'-P energy: -37.236
tors. eta vs tors. theta energy: -67.482
Dist. restrs. and SS energy: 4.774 (S_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: 38
Temperature: 1.300000
Total energy: -901.016319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.016319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.419250 (E_RNA)
where:
Base-Base interactions energy: -644.468
where: short stacking energy: -252.397
Base-Backbone interact. energy: -0.383
local terms energy: -260.569147
where:
bonds (distance) C4'-P energy: -42.148
bonds (distance) P-C4' energy: -51.723
flat angles C4'-P-C4' energy: -66.250
flat angles P-C4'-P energy: -34.287
tors. eta vs tors. theta energy: -66.162
Dist. restrs. and SS energy: 4.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -832.283506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.283506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.914621 (E_RNA)
where:
Base-Base interactions energy: -587.244
where: short stacking energy: -226.369
Base-Backbone interact. energy: -2.144
local terms energy: -252.526135
where:
bonds (distance) C4'-P energy: -42.412
bonds (distance) P-C4' energy: -56.230
flat angles C4'-P-C4' energy: -58.641
flat angles P-C4'-P energy: -45.769
tors. eta vs tors. theta energy: -49.474
Dist. restrs. and SS energy: 9.631 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -1195.420701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.420701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.318959 (E_RNA)
where:
Base-Base interactions energy: -832.125
where: short stacking energy: -354.722
Base-Backbone interact. energy: -3.346
local terms energy: -362.848042
where:
bonds (distance) C4'-P energy: -62.088
bonds (distance) P-C4' energy: -75.700
flat angles C4'-P-C4' energy: -72.552
flat angles P-C4'-P energy: -51.346
tors. eta vs tors. theta energy: -101.163
Dist. restrs. and SS energy: 2.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -1171.537102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.537102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.533032 (E_RNA)
where:
Base-Base interactions energy: -819.818
where: short stacking energy: -347.070
Base-Backbone interact. energy: 0.230
local terms energy: -354.945869
where:
bonds (distance) C4'-P energy: -61.647
bonds (distance) P-C4' energy: -73.536
flat angles C4'-P-C4' energy: -77.757
flat angles P-C4'-P energy: -49.234
tors. eta vs tors. theta energy: -92.772
Dist. restrs. and SS energy: 2.996 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -1173.185011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.185011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.914544 (E_RNA)
where:
Base-Base interactions energy: -820.718
where: short stacking energy: -337.413
Base-Backbone interact. energy: 1.449
local terms energy: -356.644964
where:
bonds (distance) C4'-P energy: -67.057
bonds (distance) P-C4' energy: -65.123
flat angles C4'-P-C4' energy: -70.342
flat angles P-C4'-P energy: -55.698
tors. eta vs tors. theta energy: -98.425
Dist. restrs. and SS energy: 2.730 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -1068.089666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.089666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.419062 (E_RNA)
where:
Base-Base interactions energy: -742.530
where: short stacking energy: -300.712
Base-Backbone interact. energy: -1.783
local terms energy: -328.105743
where:
bonds (distance) C4'-P energy: -65.125
bonds (distance) P-C4' energy: -47.195
flat angles C4'-P-C4' energy: -73.654
flat angles P-C4'-P energy: -49.496
tors. eta vs tors. theta energy: -92.636
Dist. restrs. and SS energy: 4.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -989.905699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.905699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.485701 (E_RNA)
where:
Base-Base interactions energy: -693.820
where: short stacking energy: -281.981
Base-Backbone interact. energy: 0.990
local terms energy: -307.655826
where:
bonds (distance) C4'-P energy: -63.364
bonds (distance) P-C4' energy: -64.507
flat angles C4'-P-C4' energy: -65.919
flat angles P-C4'-P energy: -39.012
tors. eta vs tors. theta energy: -74.854
Dist. restrs. and SS energy: 10.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -982.968118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.968118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.146711 (E_RNA)
where:
Base-Base interactions energy: -704.870
where: short stacking energy: -277.951
Base-Backbone interact. energy: -1.189
local terms energy: -288.087199
where:
bonds (distance) C4'-P energy: -55.511
bonds (distance) P-C4' energy: -58.699
flat angles C4'-P-C4' energy: -67.694
flat angles P-C4'-P energy: -41.009
tors. eta vs tors. theta energy: -65.174
Dist. restrs. and SS energy: 11.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -952.732692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.732692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.095473 (E_RNA)
where:
Base-Base interactions energy: -657.871
where: short stacking energy: -259.263
Base-Backbone interact. energy: -1.030
local terms energy: -301.194807
where:
bonds (distance) C4'-P energy: -53.430
bonds (distance) P-C4' energy: -68.013
flat angles C4'-P-C4' energy: -64.865
flat angles P-C4'-P energy: -34.703
tors. eta vs tors. theta energy: -80.185
Dist. restrs. and SS energy: 7.363 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -931.511890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.511890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.122558 (E_RNA)
where:
Base-Base interactions energy: -663.128
where: short stacking energy: -252.472
Base-Backbone interact. energy: -0.333
local terms energy: -272.661038
where:
bonds (distance) C4'-P energy: -48.095
bonds (distance) P-C4' energy: -59.702
flat angles C4'-P-C4' energy: -71.187
flat angles P-C4'-P energy: -36.823
tors. eta vs tors. theta energy: -56.854
Dist. restrs. and SS energy: 4.611 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -871.876962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.876962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.843477 (E_RNA)
where:
Base-Base interactions energy: -608.201
where: short stacking energy: -236.549
Base-Backbone interact. energy: -0.339
local terms energy: -275.303084
where:
bonds (distance) C4'-P energy: -58.162
bonds (distance) P-C4' energy: -66.076
flat angles C4'-P-C4' energy: -63.317
flat angles P-C4'-P energy: -30.936
tors. eta vs tors. theta energy: -56.812
Dist. restrs. and SS energy: 11.967 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -798.461303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.461303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.609303 (E_RNA)
where:
Base-Base interactions energy: -566.707
where: short stacking energy: -214.178
Base-Backbone interact. energy: 1.014
local terms energy: -239.916222
where:
bonds (distance) C4'-P energy: -55.223
bonds (distance) P-C4' energy: -59.537
flat angles C4'-P-C4' energy: -58.000
flat angles P-C4'-P energy: -22.390
tors. eta vs tors. theta energy: -44.766
Dist. restrs. and SS energy: 7.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -1199.459887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.459887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.021513 (E_RNA)
where:
Base-Base interactions energy: -840.688
where: short stacking energy: -364.357
Base-Backbone interact. energy: -3.795
local terms energy: -358.538742
where:
bonds (distance) C4'-P energy: -64.128
bonds (distance) P-C4' energy: -64.304
flat angles C4'-P-C4' energy: -69.448
flat angles P-C4'-P energy: -63.384
tors. eta vs tors. theta energy: -97.276
Dist. restrs. and SS energy: 3.562 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -1203.168043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.168043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.713251 (E_RNA)
where:
Base-Base interactions energy: -839.388
where: short stacking energy: -350.191
Base-Backbone interact. energy: -2.819
local terms energy: -364.506119
where:
bonds (distance) C4'-P energy: -57.331
bonds (distance) P-C4' energy: -72.118
flat angles C4'-P-C4' energy: -71.248
flat angles P-C4'-P energy: -56.237
tors. eta vs tors. theta energy: -107.572
Dist. restrs. and SS energy: 3.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -1177.803577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.803577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.434393 (E_RNA)
where:
Base-Base interactions energy: -818.349
where: short stacking energy: -335.846
Base-Backbone interact. energy: 3.337
local terms energy: -366.422005
where:
bonds (distance) C4'-P energy: -69.954
bonds (distance) P-C4' energy: -77.450
flat angles C4'-P-C4' energy: -68.904
flat angles P-C4'-P energy: -46.098
tors. eta vs tors. theta energy: -104.016
Dist. restrs. and SS energy: 3.631 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -1067.217567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.217567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.693378 (E_RNA)
where:
Base-Base interactions energy: -736.845
where: short stacking energy: -295.140
Base-Backbone interact. energy: -2.215
local terms energy: -333.633820
where:
bonds (distance) C4'-P energy: -67.421
bonds (distance) P-C4' energy: -69.903
flat angles C4'-P-C4' energy: -71.355
flat angles P-C4'-P energy: -47.706
tors. eta vs tors. theta energy: -77.249
Dist. restrs. and SS energy: 5.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -1059.872970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.872970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.070787 (E_RNA)
where:
Base-Base interactions energy: -758.194
where: short stacking energy: -322.848
Base-Backbone interact. energy: 1.175
local terms energy: -307.051620
where:
bonds (distance) C4'-P energy: -52.780
bonds (distance) P-C4' energy: -53.439
flat angles C4'-P-C4' energy: -65.470
flat angles P-C4'-P energy: -40.286
tors. eta vs tors. theta energy: -95.077
Dist. restrs. and SS energy: 4.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -988.392306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.392306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.185483 (E_RNA)
where:
Base-Base interactions energy: -709.097
where: short stacking energy: -274.056
Base-Backbone interact. energy: 1.657
local terms energy: -287.746196
where:
bonds (distance) C4'-P energy: -61.136
bonds (distance) P-C4' energy: -62.820
flat angles C4'-P-C4' energy: -62.867
flat angles P-C4'-P energy: -35.342
tors. eta vs tors. theta energy: -65.581
Dist. restrs. and SS energy: 6.793 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -985.994876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.994876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.385831 (E_RNA)
where:
Base-Base interactions energy: -699.837
where: short stacking energy: -294.988
Base-Backbone interact. energy: -0.824
local terms energy: -293.724130
where:
bonds (distance) C4'-P energy: -66.724
bonds (distance) P-C4' energy: -59.952
flat angles C4'-P-C4' energy: -61.377
flat angles P-C4'-P energy: -29.061
tors. eta vs tors. theta energy: -76.611
Dist. restrs. and SS energy: 8.391 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -889.009832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.009832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.992612 (E_RNA)
where:
Base-Base interactions energy: -618.717
where: short stacking energy: -227.280
Base-Backbone interact. energy: 4.256
local terms energy: -279.531930
where:
bonds (distance) C4'-P energy: -60.052
bonds (distance) P-C4' energy: -61.850
flat angles C4'-P-C4' energy: -72.115
flat angles P-C4'-P energy: -30.842
tors. eta vs tors. theta energy: -54.674
Dist. restrs. and SS energy: 4.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -893.625093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.625093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.516682 (E_RNA)
where:
Base-Base interactions energy: -632.633
where: short stacking energy: -250.038
Base-Backbone interact. energy: -2.845
local terms energy: -263.037861
where:
bonds (distance) C4'-P energy: -43.681
bonds (distance) P-C4' energy: -50.767
flat angles C4'-P-C4' energy: -67.138
flat angles P-C4'-P energy: -36.372
tors. eta vs tors. theta energy: -65.080
Dist. restrs. and SS energy: 4.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -841.466977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.466977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.615780 (E_RNA)
where:
Base-Base interactions energy: -595.173
where: short stacking energy: -227.229
Base-Backbone interact. energy: -0.253
local terms energy: -256.190316
where:
bonds (distance) C4'-P energy: -60.609
bonds (distance) P-C4' energy: -44.446
flat angles C4'-P-C4' energy: -59.899
flat angles P-C4'-P energy: -35.926
tors. eta vs tors. theta energy: -55.311
Dist. restrs. and SS energy: 10.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -1183.415866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.415866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.088566 (E_RNA)
where:
Base-Base interactions energy: -824.276
where: short stacking energy: -351.008
Base-Backbone interact. energy: 1.185
local terms energy: -363.997851
where:
bonds (distance) C4'-P energy: -73.498
bonds (distance) P-C4' energy: -72.722
flat angles C4'-P-C4' energy: -76.744
flat angles P-C4'-P energy: -48.535
tors. eta vs tors. theta energy: -92.500
Dist. restrs. and SS energy: 3.673 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -1199.471312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.471312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.594380 (E_RNA)
where:
Base-Base interactions energy: -841.310
where: short stacking energy: -351.777
Base-Backbone interact. energy: -0.929
local terms energy: -360.355622
where:
bonds (distance) C4'-P energy: -68.958
bonds (distance) P-C4' energy: -62.890
flat angles C4'-P-C4' energy: -79.195
flat angles P-C4'-P energy: -50.330
tors. eta vs tors. theta energy: -98.984
Dist. restrs. and SS energy: 3.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -1175.488128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.488128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.220959 (E_RNA)
where:
Base-Base interactions energy: -816.489
where: short stacking energy: -338.562
Base-Backbone interact. energy: -1.566
local terms energy: -361.165426
where:
bonds (distance) C4'-P energy: -63.007
bonds (distance) P-C4' energy: -59.842
flat angles C4'-P-C4' energy: -78.956
flat angles P-C4'-P energy: -57.136
tors. eta vs tors. theta energy: -102.225
Dist. restrs. and SS energy: 3.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -1079.276071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.276071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.647686 (E_RNA)
where:
Base-Base interactions energy: -762.898
where: short stacking energy: -301.968
Base-Backbone interact. energy: -1.137
local terms energy: -318.612261
where:
bonds (distance) C4'-P energy: -69.001
bonds (distance) P-C4' energy: -49.696
flat angles C4'-P-C4' energy: -71.260
flat angles P-C4'-P energy: -48.704
tors. eta vs tors. theta energy: -79.950
Dist. restrs. and SS energy: 3.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -1042.231961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.231961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.533079 (E_RNA)
where:
Base-Base interactions energy: -740.238
where: short stacking energy: -292.131
Base-Backbone interact. energy: -2.257
local terms energy: -303.038461
where:
bonds (distance) C4'-P energy: -67.277
bonds (distance) P-C4' energy: -63.679
flat angles C4'-P-C4' energy: -62.010
flat angles P-C4'-P energy: -39.209
tors. eta vs tors. theta energy: -70.863
Dist. restrs. and SS energy: 3.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -1021.323671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.323671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.899235 (E_RNA)
where:
Base-Base interactions energy: -708.991
where: short stacking energy: -295.649
Base-Backbone interact. energy: 2.051
local terms energy: -317.958943
where:
bonds (distance) C4'-P energy: -68.597
bonds (distance) P-C4' energy: -54.563
flat angles C4'-P-C4' energy: -65.515
flat angles P-C4'-P energy: -52.053
tors. eta vs tors. theta energy: -77.230
Dist. restrs. and SS energy: 3.576 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -955.245272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.245272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.924383 (E_RNA)
where:
Base-Base interactions energy: -677.154
where: short stacking energy: -278.107
Base-Backbone interact. energy: 3.984
local terms energy: -292.754188
where:
bonds (distance) C4'-P energy: -55.870
bonds (distance) P-C4' energy: -61.202
flat angles C4'-P-C4' energy: -64.728
flat angles P-C4'-P energy: -44.900
tors. eta vs tors. theta energy: -66.054
Dist. restrs. and SS energy: 10.679 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -931.739460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.739460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.969385 (E_RNA)
where:
Base-Base interactions energy: -643.452
where: short stacking energy: -255.832
Base-Backbone interact. energy: -2.870
local terms energy: -292.647593
where:
bonds (distance) C4'-P energy: -53.303
bonds (distance) P-C4' energy: -63.337
flat angles C4'-P-C4' energy: -68.545
flat angles P-C4'-P energy: -33.969
tors. eta vs tors. theta energy: -73.494
Dist. restrs. and SS energy: 7.230 (S_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: 41
Temperature: 1.300000
Total energy: -912.155632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.155632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.405748 (E_RNA)
where:
Base-Base interactions energy: -642.318
where: short stacking energy: -242.682
Base-Backbone interact. energy: -2.367
local terms energy: -270.720340
where:
bonds (distance) C4'-P energy: -57.062
bonds (distance) P-C4' energy: -46.737
flat angles C4'-P-C4' energy: -70.766
flat angles P-C4'-P energy: -40.398
tors. eta vs tors. theta energy: -55.757
Dist. restrs. and SS energy: 3.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -830.221254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.221254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.119868 (E_RNA)
where:
Base-Base interactions energy: -572.096
where: short stacking energy: -204.639
Base-Backbone interact. energy: 0.718
local terms energy: -268.742213
where:
bonds (distance) C4'-P energy: -63.528
bonds (distance) P-C4' energy: -55.884
flat angles C4'-P-C4' energy: -55.829
flat angles P-C4'-P energy: -45.347
tors. eta vs tors. theta energy: -48.155
Dist. restrs. and SS energy: 9.899 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -1178.861141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.861141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.428958 (E_RNA)
where:
Base-Base interactions energy: -828.169
where: short stacking energy: -346.136
Base-Backbone interact. energy: -2.621
local terms energy: -351.639029
where:
bonds (distance) C4'-P energy: -59.751
bonds (distance) P-C4' energy: -68.323
flat angles C4'-P-C4' energy: -69.761
flat angles P-C4'-P energy: -52.683
tors. eta vs tors. theta energy: -101.121
Dist. restrs. and SS energy: 3.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -1190.210265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.210265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.728882 (E_RNA)
where:
Base-Base interactions energy: -836.120
where: short stacking energy: -337.282
Base-Backbone interact. energy: -0.786
local terms energy: -356.823406
where:
bonds (distance) C4'-P energy: -73.360
bonds (distance) P-C4' energy: -64.798
flat angles C4'-P-C4' energy: -78.182
flat angles P-C4'-P energy: -46.033
tors. eta vs tors. theta energy: -94.451
Dist. restrs. and SS energy: 3.519 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -1143.587366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.587366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.862361 (E_RNA)
where:
Base-Base interactions energy: -792.869
where: short stacking energy: -326.289
Base-Backbone interact. energy: 0.495
local terms energy: -354.488731
where:
bonds (distance) C4'-P energy: -69.189
bonds (distance) P-C4' energy: -61.412
flat angles C4'-P-C4' energy: -71.425
flat angles P-C4'-P energy: -54.833
tors. eta vs tors. theta energy: -97.629
Dist. restrs. and SS energy: 3.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -1070.472647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.472647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.544045 (E_RNA)
where:
Base-Base interactions energy: -720.569
where: short stacking energy: -298.990
Base-Backbone interact. energy: -1.404
local terms energy: -352.571302
where:
bonds (distance) C4'-P energy: -63.815
bonds (distance) P-C4' energy: -79.227
flat angles C4'-P-C4' energy: -74.387
flat angles P-C4'-P energy: -51.502
tors. eta vs tors. theta energy: -83.641
Dist. restrs. and SS energy: 4.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -1030.050158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.050158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.251279 (E_RNA)
where:
Base-Base interactions energy: -720.945
where: short stacking energy: -280.014
Base-Backbone interact. energy: 0.295
local terms energy: -313.601505
where:
bonds (distance) C4'-P energy: -53.909
bonds (distance) P-C4' energy: -72.744
flat angles C4'-P-C4' energy: -65.939
flat angles P-C4'-P energy: -42.326
tors. eta vs tors. theta energy: -78.684
Dist. restrs. and SS energy: 4.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -1021.311384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.311384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.190461 (E_RNA)
where:
Base-Base interactions energy: -716.574
where: short stacking energy: -277.535
Base-Backbone interact. energy: -1.051
local terms energy: -307.565782
where:
bonds (distance) C4'-P energy: -61.429
bonds (distance) P-C4' energy: -56.844
flat angles C4'-P-C4' energy: -62.872
flat angles P-C4'-P energy: -45.178
tors. eta vs tors. theta energy: -81.243
Dist. restrs. and SS energy: 3.879 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -970.429885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.429885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.936379 (E_RNA)
where:
Base-Base interactions energy: -672.836
where: short stacking energy: -266.771
Base-Backbone interact. energy: -0.695
local terms energy: -300.405379
where:
bonds (distance) C4'-P energy: -56.336
bonds (distance) P-C4' energy: -67.236
flat angles C4'-P-C4' energy: -69.417
flat angles P-C4'-P energy: -43.496
tors. eta vs tors. theta energy: -63.920
Dist. restrs. and SS energy: 3.506 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -917.374019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.374019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.675524 (E_RNA)
where:
Base-Base interactions energy: -665.226
where: short stacking energy: -276.054
Base-Backbone interact. energy: 2.887
local terms energy: -259.336167
where:
bonds (distance) C4'-P energy: -47.366
bonds (distance) P-C4' energy: -62.166
flat angles C4'-P-C4' energy: -58.428
flat angles P-C4'-P energy: -28.699
tors. eta vs tors. theta energy: -62.677
Dist. restrs. and SS energy: 4.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -859.003755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.003755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.691018 (E_RNA)
where:
Base-Base interactions energy: -592.657
where: short stacking energy: -250.801
Base-Backbone interact. energy: -2.591
local terms energy: -272.443567
where:
bonds (distance) C4'-P energy: -51.564
bonds (distance) P-C4' energy: -62.487
flat angles C4'-P-C4' energy: -57.643
flat angles P-C4'-P energy: -38.050
tors. eta vs tors. theta energy: -62.701
Dist. restrs. and SS energy: 8.687 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -825.722582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.722582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.910250 (E_RNA)
where:
Base-Base interactions energy: -600.317
where: short stacking energy: -234.332
Base-Backbone interact. energy: 2.217
local terms energy: -234.809753
where:
bonds (distance) C4'-P energy: -48.385
bonds (distance) P-C4' energy: -64.038
flat angles C4'-P-C4' energy: -47.429
flat angles P-C4'-P energy: -31.758
tors. eta vs tors. theta energy: -43.199
Dist. restrs. and SS energy: 7.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -1174.801522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.801522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.995533 (E_RNA)
where:
Base-Base interactions energy: -811.952
where: short stacking energy: -331.973
Base-Backbone interact. energy: -1.653
local terms energy: -364.390381
where:
bonds (distance) C4'-P energy: -67.847
bonds (distance) P-C4' energy: -71.911
flat angles C4'-P-C4' energy: -77.678
flat angles P-C4'-P energy: -52.950
tors. eta vs tors. theta energy: -94.005
Dist. restrs. and SS energy: 3.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -1175.924287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.924287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.492427 (E_RNA)
where:
Base-Base interactions energy: -828.868
where: short stacking energy: -348.319
Base-Backbone interact. energy: -3.920
local terms energy: -346.703843
where:
bonds (distance) C4'-P energy: -62.126
bonds (distance) P-C4' energy: -61.922
flat angles C4'-P-C4' energy: -71.583
flat angles P-C4'-P energy: -50.382
tors. eta vs tors. theta energy: -100.691
Dist. restrs. and SS energy: 3.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -1119.364880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.364880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.795514 (E_RNA)
where:
Base-Base interactions energy: -785.558
where: short stacking energy: -315.169
Base-Backbone interact. energy: -2.582
local terms energy: -335.654670
where:
bonds (distance) C4'-P energy: -66.264
bonds (distance) P-C4' energy: -62.803
flat angles C4'-P-C4' energy: -68.867
flat angles P-C4'-P energy: -41.264
tors. eta vs tors. theta energy: -96.456
Dist. restrs. and SS energy: 4.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -1095.359338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.359338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.042986 (E_RNA)
where:
Base-Base interactions energy: -765.389
where: short stacking energy: -309.780
Base-Backbone interact. energy: -0.957
local terms energy: -332.696738
where:
bonds (distance) C4'-P energy: -60.871
bonds (distance) P-C4' energy: -63.766
flat angles C4'-P-C4' energy: -67.251
flat angles P-C4'-P energy: -54.040
tors. eta vs tors. theta energy: -86.769
Dist. restrs. and SS energy: 3.684 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -1040.788924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.788924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.997975 (E_RNA)
where:
Base-Base interactions energy: -727.078
where: short stacking energy: -308.926
Base-Backbone interact. energy: -1.794
local terms energy: -315.126574
where:
bonds (distance) C4'-P energy: -57.212
bonds (distance) P-C4' energy: -51.976
flat angles C4'-P-C4' energy: -64.597
flat angles P-C4'-P energy: -54.787
tors. eta vs tors. theta energy: -86.555
Dist. restrs. and SS energy: 3.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -1008.958389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.958389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.202962 (E_RNA)
where:
Base-Base interactions energy: -693.031
where: short stacking energy: -285.675
Base-Backbone interact. energy: 0.778
local terms energy: -320.950585
where:
bonds (distance) C4'-P energy: -70.688
bonds (distance) P-C4' energy: -55.316
flat angles C4'-P-C4' energy: -69.592
flat angles P-C4'-P energy: -46.669
tors. eta vs tors. theta energy: -78.686
Dist. restrs. and SS energy: 4.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -967.992870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.992870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.121259 (E_RNA)
where:
Base-Base interactions energy: -670.714
where: short stacking energy: -263.123
Base-Backbone interact. energy: -2.048
local terms energy: -298.359716
where:
bonds (distance) C4'-P energy: -56.858
bonds (distance) P-C4' energy: -56.425
flat angles C4'-P-C4' energy: -65.757
flat angles P-C4'-P energy: -53.624
tors. eta vs tors. theta energy: -65.696
Dist. restrs. and SS energy: 3.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -888.012701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.012701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.538890 (E_RNA)
where:
Base-Base interactions energy: -636.366
where: short stacking energy: -257.804
Base-Backbone interact. energy: -2.584
local terms energy: -252.588295
where:
bonds (distance) C4'-P energy: -50.198
bonds (distance) P-C4' energy: -51.151
flat angles C4'-P-C4' energy: -53.961
flat angles P-C4'-P energy: -45.019
tors. eta vs tors. theta energy: -52.259
Dist. restrs. and SS energy: 3.526 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -877.279861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.279861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.064616 (E_RNA)
where:
Base-Base interactions energy: -604.173
where: short stacking energy: -247.163
Base-Backbone interact. energy: -0.793
local terms energy: -280.098574
where:
bonds (distance) C4'-P energy: -50.101
bonds (distance) P-C4' energy: -67.712
flat angles C4'-P-C4' energy: -61.078
flat angles P-C4'-P energy: -37.489
tors. eta vs tors. theta energy: -63.718
Dist. restrs. and SS energy: 7.785 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -834.263393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.263393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.946616 (E_RNA)
where:
Base-Base interactions energy: -588.509
where: short stacking energy: -225.586
Base-Backbone interact. energy: -1.298
local terms energy: -256.139981
where:
bonds (distance) C4'-P energy: -47.453
bonds (distance) P-C4' energy: -54.880
flat angles C4'-P-C4' energy: -56.061
flat angles P-C4'-P energy: -47.418
tors. eta vs tors. theta energy: -50.328
Dist. restrs. and SS energy: 11.683 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -1211.131137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.131137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.139852 (E_RNA)
where:
Base-Base interactions energy: -846.483
where: short stacking energy: -329.366
Base-Backbone interact. energy: -2.190
local terms energy: -366.467188
where:
bonds (distance) C4'-P energy: -79.622
bonds (distance) P-C4' energy: -60.761
flat angles C4'-P-C4' energy: -78.487
flat angles P-C4'-P energy: -52.277
tors. eta vs tors. theta energy: -95.321
Dist. restrs. and SS energy: 4.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -1155.891374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.891374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.403292 (E_RNA)
where:
Base-Base interactions energy: -801.378
where: short stacking energy: -325.132
Base-Backbone interact. energy: -3.138
local terms energy: -356.887592
where:
bonds (distance) C4'-P energy: -62.925
bonds (distance) P-C4' energy: -66.493
flat angles C4'-P-C4' energy: -79.124
flat angles P-C4'-P energy: -52.255
tors. eta vs tors. theta energy: -96.092
Dist. restrs. and SS energy: 5.512 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -1127.541952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.541952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.512455 (E_RNA)
where:
Base-Base interactions energy: -775.424
where: short stacking energy: -332.514
Base-Backbone interact. energy: -2.149
local terms energy: -352.939026
where:
bonds (distance) C4'-P energy: -64.061
bonds (distance) P-C4' energy: -64.802
flat angles C4'-P-C4' energy: -76.547
flat angles P-C4'-P energy: -55.308
tors. eta vs tors. theta energy: -92.222
Dist. restrs. and SS energy: 2.971 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -1125.856206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.856206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.540409 (E_RNA)
where:
Base-Base interactions energy: -796.267
where: short stacking energy: -325.157
Base-Backbone interact. energy: -0.113
local terms energy: -335.160068
where:
bonds (distance) C4'-P energy: -63.700
bonds (distance) P-C4' energy: -69.018
flat angles C4'-P-C4' energy: -71.676
flat angles P-C4'-P energy: -41.881
tors. eta vs tors. theta energy: -88.884
Dist. restrs. and SS energy: 5.684 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -1043.995977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.995977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.471622 (E_RNA)
where:
Base-Base interactions energy: -724.984
where: short stacking energy: -303.012
Base-Backbone interact. energy: 0.469
local terms energy: -324.956762
where:
bonds (distance) C4'-P energy: -61.769
bonds (distance) P-C4' energy: -65.083
flat angles C4'-P-C4' energy: -68.781
flat angles P-C4'-P energy: -39.526
tors. eta vs tors. theta energy: -89.796
Dist. restrs. and SS energy: 5.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -1001.560118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.560118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.315606 (E_RNA)
where:
Base-Base interactions energy: -715.646
where: short stacking energy: -291.302
Base-Backbone interact. energy: -1.351
local terms energy: -289.318937
where:
bonds (distance) C4'-P energy: -38.341
bonds (distance) P-C4' energy: -58.472
flat angles C4'-P-C4' energy: -71.990
flat angles P-C4'-P energy: -46.944
tors. eta vs tors. theta energy: -73.573
Dist. restrs. and SS energy: 4.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -919.630146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.630146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.229937 (E_RNA)
where:
Base-Base interactions energy: -647.534
where: short stacking energy: -259.872
Base-Backbone interact. energy: -0.773
local terms energy: -275.922465
where:
bonds (distance) C4'-P energy: -47.396
bonds (distance) P-C4' energy: -57.723
flat angles C4'-P-C4' energy: -71.221
flat angles P-C4'-P energy: -44.269
tors. eta vs tors. theta energy: -55.314
Dist. restrs. and SS energy: 4.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -891.946441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.946441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.200642 (E_RNA)
where:
Base-Base interactions energy: -654.680
where: short stacking energy: -243.297
Base-Backbone interact. energy: -1.498
local terms energy: -240.022958
where:
bonds (distance) C4'-P energy: -38.927
bonds (distance) P-C4' energy: -52.927
flat angles C4'-P-C4' energy: -57.695
flat angles P-C4'-P energy: -37.978
tors. eta vs tors. theta energy: -52.496
Dist. restrs. and SS energy: 4.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -842.657972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.657972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.159428 (E_RNA)
where:
Base-Base interactions energy: -579.407
where: short stacking energy: -211.147
Base-Backbone interact. energy: -0.111
local terms energy: -269.641551
where:
bonds (distance) C4'-P energy: -47.674
bonds (distance) P-C4' energy: -59.551
flat angles C4'-P-C4' energy: -61.719
flat angles P-C4'-P energy: -45.376
tors. eta vs tors. theta energy: -55.322
Dist. restrs. and SS energy: 6.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -853.550169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.550169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.049360 (E_RNA)
where:
Base-Base interactions energy: -595.372
where: short stacking energy: -239.837
Base-Backbone interact. energy: -0.484
local terms energy: -265.193506
where:
bonds (distance) C4'-P energy: -56.774
bonds (distance) P-C4' energy: -57.933
flat angles C4'-P-C4' energy: -51.135
flat angles P-C4'-P energy: -37.833
tors. eta vs tors. theta energy: -61.519
Dist. restrs. and SS energy: 7.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -1212.660359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.660359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.253228 (E_RNA)
where:
Base-Base interactions energy: -857.606
where: short stacking energy: -354.443
Base-Backbone interact. energy: -2.981
local terms energy: -354.665766
where:
bonds (distance) C4'-P energy: -58.613
bonds (distance) P-C4' energy: -64.945
flat angles C4'-P-C4' energy: -70.736
flat angles P-C4'-P energy: -53.922
tors. eta vs tors. theta energy: -106.450
Dist. restrs. and SS energy: 2.593 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -1186.430782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.430782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.294975 (E_RNA)
where:
Base-Base interactions energy: -844.555
where: short stacking energy: -332.055
Base-Backbone interact. energy: -2.255
local terms energy: -344.484381
where:
bonds (distance) C4'-P energy: -61.253
bonds (distance) P-C4' energy: -69.246
flat angles C4'-P-C4' energy: -72.488
flat angles P-C4'-P energy: -51.055
tors. eta vs tors. theta energy: -90.442
Dist. restrs. and SS energy: 4.864 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -1147.245344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.245344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.483133 (E_RNA)
where:
Base-Base interactions energy: -804.880
where: short stacking energy: -334.028
Base-Backbone interact. energy: -4.976
local terms energy: -340.627132
where:
bonds (distance) C4'-P energy: -58.794
bonds (distance) P-C4' energy: -65.565
flat angles C4'-P-C4' energy: -75.875
flat angles P-C4'-P energy: -52.967
tors. eta vs tors. theta energy: -87.425
Dist. restrs. and SS energy: 3.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -1117.196637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.196637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.643723 (E_RNA)
where:
Base-Base interactions energy: -778.031
where: short stacking energy: -345.827
Base-Backbone interact. energy: 2.377
local terms energy: -345.990401
where:
bonds (distance) C4'-P energy: -74.176
bonds (distance) P-C4' energy: -67.041
flat angles C4'-P-C4' energy: -69.306
flat angles P-C4'-P energy: -40.740
tors. eta vs tors. theta energy: -94.728
Dist. restrs. and SS energy: 4.447 (S_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: 45
Temperature: 1.100000
Total energy: -1006.506756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.506756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.473954 (E_RNA)
where:
Base-Base interactions energy: -718.208
where: short stacking energy: -292.725
Base-Backbone interact. energy: 0.454
local terms energy: -292.719860
where:
bonds (distance) C4'-P energy: -59.775
bonds (distance) P-C4' energy: -40.663
flat angles C4'-P-C4' energy: -73.914
flat angles P-C4'-P energy: -34.499
tors. eta vs tors. theta energy: -83.869
Dist. restrs. and SS energy: 3.967 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -966.568116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.568116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.194629 (E_RNA)
where:
Base-Base interactions energy: -681.854
where: short stacking energy: -260.770
Base-Backbone interact. energy: -2.549
local terms energy: -288.791471
where:
bonds (distance) C4'-P energy: -54.386
bonds (distance) P-C4' energy: -56.235
flat angles C4'-P-C4' energy: -70.645
flat angles P-C4'-P energy: -45.453
tors. eta vs tors. theta energy: -62.072
Dist. restrs. and SS energy: 6.627 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -990.881465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.881465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.759406 (E_RNA)
where:
Base-Base interactions energy: -698.668
where: short stacking energy: -275.969
Base-Backbone interact. energy: -0.674
local terms energy: -294.417501
where:
bonds (distance) C4'-P energy: -63.233
bonds (distance) P-C4' energy: -59.715
flat angles C4'-P-C4' energy: -68.298
flat angles P-C4'-P energy: -31.757
tors. eta vs tors. theta energy: -71.415
Dist. restrs. and SS energy: 2.878 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -849.866229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.866229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.901165 (E_RNA)
where:
Base-Base interactions energy: -600.053
where: short stacking energy: -226.610
Base-Backbone interact. energy: -0.450
local terms energy: -255.397873
where:
bonds (distance) C4'-P energy: -50.502
bonds (distance) P-C4' energy: -61.950
flat angles C4'-P-C4' energy: -60.351
flat angles P-C4'-P energy: -29.099
tors. eta vs tors. theta energy: -53.495
Dist. restrs. and SS energy: 6.035 (S_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: 45
Temperature: 1.300000
Total energy: -903.575372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.575372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.280736 (E_RNA)
where:
Base-Base interactions energy: -652.113
where: short stacking energy: -254.605
Base-Backbone interact. energy: -1.142
local terms energy: -256.025716
where:
bonds (distance) C4'-P energy: -39.766
bonds (distance) P-C4' energy: -57.798
flat angles C4'-P-C4' energy: -58.864
flat angles P-C4'-P energy: -37.520
tors. eta vs tors. theta energy: -62.078
Dist. restrs. and SS energy: 5.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -845.010450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.010450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.305833 (E_RNA)
where:
Base-Base interactions energy: -596.118
where: short stacking energy: -229.263
Base-Backbone interact. energy: 1.114
local terms energy: -254.301557
where:
bonds (distance) C4'-P energy: -44.596
bonds (distance) P-C4' energy: -52.494
flat angles C4'-P-C4' energy: -66.798
flat angles P-C4'-P energy: -39.821
tors. eta vs tors. theta energy: -50.593
Dist. restrs. and SS energy: 4.295 (S_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: 46
Temperature: 0.900000
Total energy: -1211.194351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.194351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.935395 (E_RNA)
where:
Base-Base interactions energy: -846.914
where: short stacking energy: -346.967
Base-Backbone interact. energy: -3.789
local terms energy: -365.232104
where:
bonds (distance) C4'-P energy: -73.660
bonds (distance) P-C4' energy: -70.991
flat angles C4'-P-C4' energy: -79.815
flat angles P-C4'-P energy: -38.104
tors. eta vs tors. theta energy: -102.663
Dist. restrs. and SS energy: 4.741 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -1208.195113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.195113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.089656 (E_RNA)
where:
Base-Base interactions energy: -847.527
where: short stacking energy: -363.335
Base-Backbone interact. energy: 2.403
local terms energy: -365.966584
where:
bonds (distance) C4'-P energy: -64.875
bonds (distance) P-C4' energy: -69.977
flat angles C4'-P-C4' energy: -77.812
flat angles P-C4'-P energy: -47.467
tors. eta vs tors. theta energy: -105.837
Dist. restrs. and SS energy: 2.895 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -1120.829675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.829675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.205342 (E_RNA)
where:
Base-Base interactions energy: -784.172
where: short stacking energy: -326.557
Base-Backbone interact. energy: -0.656
local terms energy: -339.377350
where:
bonds (distance) C4'-P energy: -62.972
bonds (distance) P-C4' energy: -62.352
flat angles C4'-P-C4' energy: -71.392
flat angles P-C4'-P energy: -46.005
tors. eta vs tors. theta energy: -96.656
Dist. restrs. and SS energy: 3.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -1107.610440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.610440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.606131 (E_RNA)
where:
Base-Base interactions energy: -771.981
where: short stacking energy: -301.357
Base-Backbone interact. energy: -4.700
local terms energy: -333.924559
where:
bonds (distance) C4'-P energy: -64.162
bonds (distance) P-C4' energy: -70.735
flat angles C4'-P-C4' energy: -68.658
flat angles P-C4'-P energy: -47.471
tors. eta vs tors. theta energy: -82.898
Dist. restrs. and SS energy: 2.996 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -1031.527027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.527027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.390598 (E_RNA)
where:
Base-Base interactions energy: -728.210
where: short stacking energy: -294.160
Base-Backbone interact. energy: -2.682
local terms energy: -304.499341
where:
bonds (distance) C4'-P energy: -55.448
bonds (distance) P-C4' energy: -57.642
flat angles C4'-P-C4' energy: -62.850
flat angles P-C4'-P energy: -48.845
tors. eta vs tors. theta energy: -79.714
Dist. restrs. and SS energy: 3.864 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -965.552522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.552522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.877892 (E_RNA)
where:
Base-Base interactions energy: -686.582
where: short stacking energy: -259.767
Base-Backbone interact. energy: -1.377
local terms energy: -281.919817
where:
bonds (distance) C4'-P energy: -52.702
bonds (distance) P-C4' energy: -63.854
flat angles C4'-P-C4' energy: -64.976
flat angles P-C4'-P energy: -34.538
tors. eta vs tors. theta energy: -65.850
Dist. restrs. and SS energy: 4.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -967.198092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.198092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.409259 (E_RNA)
where:
Base-Base interactions energy: -684.911
where: short stacking energy: -267.956
Base-Backbone interact. energy: 0.451
local terms energy: -286.949522
where:
bonds (distance) C4'-P energy: -60.409
bonds (distance) P-C4' energy: -37.914
flat angles C4'-P-C4' energy: -67.124
flat angles P-C4'-P energy: -50.783
tors. eta vs tors. theta energy: -70.721
Dist. restrs. and SS energy: 4.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -872.509878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.509878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.788198 (E_RNA)
where:
Base-Base interactions energy: -604.589
where: short stacking energy: -242.829
Base-Backbone interact. energy: -0.266
local terms energy: -276.932799
where:
bonds (distance) C4'-P energy: -50.793
bonds (distance) P-C4' energy: -55.813
flat angles C4'-P-C4' energy: -59.631
flat angles P-C4'-P energy: -48.992
tors. eta vs tors. theta energy: -61.704
Dist. restrs. and SS energy: 9.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -922.223675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.223675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.428379 (E_RNA)
where:
Base-Base interactions energy: -663.171
where: short stacking energy: -251.851
Base-Backbone interact. energy: -0.143
local terms energy: -262.114944
where:
bonds (distance) C4'-P energy: -44.134
bonds (distance) P-C4' energy: -49.308
flat angles C4'-P-C4' energy: -57.690
flat angles P-C4'-P energy: -45.489
tors. eta vs tors. theta energy: -65.494
Dist. restrs. and SS energy: 3.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -859.893587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.893587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.590216 (E_RNA)
where:
Base-Base interactions energy: -624.993
where: short stacking energy: -229.425
Base-Backbone interact. energy: -1.826
local terms energy: -237.770854
where:
bonds (distance) C4'-P energy: -32.247
bonds (distance) P-C4' energy: -48.886
flat angles C4'-P-C4' energy: -52.469
flat angles P-C4'-P energy: -46.975
tors. eta vs tors. theta energy: -57.194
Dist. restrs. and SS energy: 4.697 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -1207.389349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.389349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.118837 (E_RNA)
where:
Base-Base interactions energy: -852.394
where: short stacking energy: -343.451
Base-Backbone interact. energy: -3.770
local terms energy: -356.954862
where:
bonds (distance) C4'-P energy: -71.908
bonds (distance) P-C4' energy: -73.697
flat angles C4'-P-C4' energy: -79.311
flat angles P-C4'-P energy: -33.272
tors. eta vs tors. theta energy: -98.767
Dist. restrs. and SS energy: 5.729 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -1191.315474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.315474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.241673 (E_RNA)
where:
Base-Base interactions energy: -830.065
where: short stacking energy: -330.301
Base-Backbone interact. energy: -1.864
local terms energy: -362.311739
where:
bonds (distance) C4'-P energy: -70.361
bonds (distance) P-C4' energy: -58.962
flat angles C4'-P-C4' energy: -73.850
flat angles P-C4'-P energy: -55.365
tors. eta vs tors. theta energy: -103.773
Dist. restrs. and SS energy: 2.926 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -1132.557668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.557668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.286372 (E_RNA)
where:
Base-Base interactions energy: -794.630
where: short stacking energy: -323.980
Base-Backbone interact. energy: -0.524
local terms energy: -341.131713
where:
bonds (distance) C4'-P energy: -62.736
bonds (distance) P-C4' energy: -64.468
flat angles C4'-P-C4' energy: -70.374
flat angles P-C4'-P energy: -48.505
tors. eta vs tors. theta energy: -95.048
Dist. restrs. and SS energy: 3.729 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -1122.931535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.931535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.934733 (E_RNA)
where:
Base-Base interactions energy: -783.457
where: short stacking energy: -313.766
Base-Backbone interact. energy: -1.329
local terms energy: -341.149141
where:
bonds (distance) C4'-P energy: -64.430
bonds (distance) P-C4' energy: -65.955
flat angles C4'-P-C4' energy: -69.421
flat angles P-C4'-P energy: -54.598
tors. eta vs tors. theta energy: -86.745
Dist. restrs. and SS energy: 3.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -1021.748394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.748394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.850860 (E_RNA)
where:
Base-Base interactions energy: -711.409
where: short stacking energy: -284.461
Base-Backbone interact. energy: 0.903
local terms energy: -316.345090
where:
bonds (distance) C4'-P energy: -46.447
bonds (distance) P-C4' energy: -69.274
flat angles C4'-P-C4' energy: -75.801
flat angles P-C4'-P energy: -42.244
tors. eta vs tors. theta energy: -82.579
Dist. restrs. and SS energy: 5.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -992.056539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.056539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.122354 (E_RNA)
where:
Base-Base interactions energy: -704.003
where: short stacking energy: -274.809
Base-Backbone interact. energy: 4.447
local terms energy: -300.566492
where:
bonds (distance) C4'-P energy: -54.210
bonds (distance) P-C4' energy: -66.073
flat angles C4'-P-C4' energy: -71.638
flat angles P-C4'-P energy: -39.486
tors. eta vs tors. theta energy: -69.159
Dist. restrs. and SS energy: 8.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -964.312857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.312857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.219833 (E_RNA)
where:
Base-Base interactions energy: -662.538
where: short stacking energy: -267.111
Base-Backbone interact. energy: 0.321
local terms energy: -306.002371
where:
bonds (distance) C4'-P energy: -55.725
bonds (distance) P-C4' energy: -61.893
flat angles C4'-P-C4' energy: -70.335
flat angles P-C4'-P energy: -43.402
tors. eta vs tors. theta energy: -74.648
Dist. restrs. and SS energy: 3.907 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -943.564990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.564990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.696019 (E_RNA)
where:
Base-Base interactions energy: -676.105
where: short stacking energy: -270.185
Base-Backbone interact. energy: 2.579
local terms energy: -273.170499
where:
bonds (distance) C4'-P energy: -60.755
bonds (distance) P-C4' energy: -55.691
flat angles C4'-P-C4' energy: -66.589
flat angles P-C4'-P energy: -31.628
tors. eta vs tors. theta energy: -58.508
Dist. restrs. and SS energy: 3.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -840.785134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.785134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.297774 (E_RNA)
where:
Base-Base interactions energy: -597.927
where: short stacking energy: -221.598
Base-Backbone interact. energy: -1.461
local terms energy: -247.908992
where:
bonds (distance) C4'-P energy: -36.860
bonds (distance) P-C4' energy: -49.641
flat angles C4'-P-C4' energy: -60.342
flat angles P-C4'-P energy: -44.616
tors. eta vs tors. theta energy: -56.449
Dist. restrs. and SS energy: 6.513 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -857.997738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.997738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.413957 (E_RNA)
where:
Base-Base interactions energy: -620.824
where: short stacking energy: -239.953
Base-Backbone interact. energy: 0.783
local terms energy: -245.373842
where:
bonds (distance) C4'-P energy: -51.969
bonds (distance) P-C4' energy: -41.681
flat angles C4'-P-C4' energy: -46.904
flat angles P-C4'-P energy: -43.207
tors. eta vs tors. theta energy: -61.612
Dist. restrs. and SS energy: 7.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -1212.186087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.186087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.524812 (E_RNA)
where:
Base-Base interactions energy: -838.073
where: short stacking energy: -350.195
Base-Backbone interact. energy: 0.177
local terms energy: -377.629023
where:
bonds (distance) C4'-P energy: -69.318
bonds (distance) P-C4' energy: -76.669
flat angles C4'-P-C4' energy: -75.504
flat angles P-C4'-P energy: -54.749
tors. eta vs tors. theta energy: -101.389
Dist. restrs. and SS energy: 3.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -1156.451001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.451001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.212740 (E_RNA)
where:
Base-Base interactions energy: -808.761
where: short stacking energy: -334.352
Base-Backbone interact. energy: -0.534
local terms energy: -351.917963
where:
bonds (distance) C4'-P energy: -66.688
bonds (distance) P-C4' energy: -66.084
flat angles C4'-P-C4' energy: -74.656
flat angles P-C4'-P energy: -51.177
tors. eta vs tors. theta energy: -93.313
Dist. restrs. and SS energy: 4.762 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -1139.759482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.759482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.666896 (E_RNA)
where:
Base-Base interactions energy: -783.984
where: short stacking energy: -314.803
Base-Backbone interact. energy: -1.780
local terms energy: -356.903396
where:
bonds (distance) C4'-P energy: -60.285
bonds (distance) P-C4' energy: -68.160
flat angles C4'-P-C4' energy: -80.053
flat angles P-C4'-P energy: -57.798
tors. eta vs tors. theta energy: -90.607
Dist. restrs. and SS energy: 2.907 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -1100.084142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.084142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.178909 (E_RNA)
where:
Base-Base interactions energy: -766.870
where: short stacking energy: -315.364
Base-Backbone interact. energy: -1.866
local terms energy: -334.442609
where:
bonds (distance) C4'-P energy: -58.048
bonds (distance) P-C4' energy: -69.037
flat angles C4'-P-C4' energy: -75.778
flat angles P-C4'-P energy: -49.840
tors. eta vs tors. theta energy: -81.739
Dist. restrs. and SS energy: 3.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -1055.125581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.125581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.692949 (E_RNA)
where:
Base-Base interactions energy: -732.777
where: short stacking energy: -280.796
Base-Backbone interact. energy: 0.744
local terms energy: -328.659654
where:
bonds (distance) C4'-P energy: -69.492
bonds (distance) P-C4' energy: -74.899
flat angles C4'-P-C4' energy: -63.910
flat angles P-C4'-P energy: -43.915
tors. eta vs tors. theta energy: -76.444
Dist. restrs. and SS energy: 5.567 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -1023.529077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.529077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.352987 (E_RNA)
where:
Base-Base interactions energy: -730.010
where: short stacking energy: -302.091
Base-Backbone interact. energy: 4.065
local terms energy: -301.407510
where:
bonds (distance) C4'-P energy: -54.437
bonds (distance) P-C4' energy: -57.458
flat angles C4'-P-C4' energy: -66.746
flat angles P-C4'-P energy: -44.851
tors. eta vs tors. theta energy: -77.916
Dist. restrs. and SS energy: 3.824 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -982.006118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.006118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.402848 (E_RNA)
where:
Base-Base interactions energy: -698.507
where: short stacking energy: -268.680
Base-Backbone interact. energy: 1.038
local terms energy: -291.934079
where:
bonds (distance) C4'-P energy: -53.782
bonds (distance) P-C4' energy: -50.435
flat angles C4'-P-C4' energy: -72.418
flat angles P-C4'-P energy: -46.231
tors. eta vs tors. theta energy: -69.068
Dist. restrs. and SS energy: 7.397 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -929.772187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.772187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.082286 (E_RNA)
where:
Base-Base interactions energy: -669.371
where: short stacking energy: -249.602
Base-Backbone interact. energy: -2.984
local terms energy: -260.727365
where:
bonds (distance) C4'-P energy: -41.452
bonds (distance) P-C4' energy: -62.335
flat angles C4'-P-C4' energy: -56.193
flat angles P-C4'-P energy: -42.723
tors. eta vs tors. theta energy: -58.025
Dist. restrs. and SS energy: 3.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -887.023523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.023523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.908816 (E_RNA)
where:
Base-Base interactions energy: -627.754
where: short stacking energy: -250.035
Base-Backbone interact. energy: -2.127
local terms energy: -263.028559
where:
bonds (distance) C4'-P energy: -51.062
bonds (distance) P-C4' energy: -52.139
flat angles C4'-P-C4' energy: -60.001
flat angles P-C4'-P energy: -37.820
tors. eta vs tors. theta energy: -62.007
Dist. restrs. and SS energy: 5.885 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -783.681322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.681322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.065701 (E_RNA)
where:
Base-Base interactions energy: -557.244
where: short stacking energy: -217.785
Base-Backbone interact. energy: -0.482
local terms energy: -232.340150
where:
bonds (distance) C4'-P energy: -58.200
bonds (distance) P-C4' energy: -55.625
flat angles C4'-P-C4' energy: -67.722
flat angles P-C4'-P energy: -16.634
tors. eta vs tors. theta energy: -34.158
Dist. restrs. and SS energy: 6.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -1196.632922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.632922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.534792 (E_RNA)
where:
Base-Base interactions energy: -831.143
where: short stacking energy: -351.652
Base-Backbone interact. energy: -0.205
local terms energy: -369.187060
where:
bonds (distance) C4'-P energy: -62.952
bonds (distance) P-C4' energy: -67.779
flat angles C4'-P-C4' energy: -79.996
flat angles P-C4'-P energy: -52.601
tors. eta vs tors. theta energy: -105.859
Dist. restrs. and SS energy: 3.902 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -1168.308475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.308475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.570148 (E_RNA)
where:
Base-Base interactions energy: -822.282
where: short stacking energy: -345.197
Base-Backbone interact. energy: 1.384
local terms energy: -350.672070
where:
bonds (distance) C4'-P energy: -67.231
bonds (distance) P-C4' energy: -59.347
flat angles C4'-P-C4' energy: -80.879
flat angles P-C4'-P energy: -53.348
tors. eta vs tors. theta energy: -89.867
Dist. restrs. and SS energy: 3.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -1172.134563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.134563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.617831 (E_RNA)
where:
Base-Base interactions energy: -822.593
where: short stacking energy: -340.215
Base-Backbone interact. energy: -0.849
local terms energy: -352.176412
where:
bonds (distance) C4'-P energy: -64.096
bonds (distance) P-C4' energy: -67.080
flat angles C4'-P-C4' energy: -68.058
flat angles P-C4'-P energy: -55.023
tors. eta vs tors. theta energy: -97.918
Dist. restrs. and SS energy: 3.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -1122.596722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.596722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.911678 (E_RNA)
where:
Base-Base interactions energy: -791.104
where: short stacking energy: -321.793
Base-Backbone interact. energy: -4.498
local terms energy: -330.309805
where:
bonds (distance) C4'-P energy: -67.255
bonds (distance) P-C4' energy: -73.234
flat angles C4'-P-C4' energy: -66.101
flat angles P-C4'-P energy: -40.446
tors. eta vs tors. theta energy: -83.275
Dist. restrs. and SS energy: 3.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -1091.940320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.940320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.837353 (E_RNA)
where:
Base-Base interactions energy: -756.969
where: short stacking energy: -311.137
Base-Backbone interact. energy: -2.441
local terms energy: -337.426613
where:
bonds (distance) C4'-P energy: -68.232
bonds (distance) P-C4' energy: -58.323
flat angles C4'-P-C4' energy: -68.430
flat angles P-C4'-P energy: -49.506
tors. eta vs tors. theta energy: -92.935
Dist. restrs. and SS energy: 4.897 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -1027.094039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.094039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.681998 (E_RNA)
where:
Base-Base interactions energy: -715.385
where: short stacking energy: -303.987
Base-Backbone interact. energy: -3.790
local terms energy: -313.506728
where:
bonds (distance) C4'-P energy: -63.276
bonds (distance) P-C4' energy: -57.088
flat angles C4'-P-C4' energy: -66.791
flat angles P-C4'-P energy: -40.128
tors. eta vs tors. theta energy: -86.224
Dist. restrs. and SS energy: 5.588 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -975.834519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.834519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.946730 (E_RNA)
where:
Base-Base interactions energy: -684.032
where: short stacking energy: -275.533
Base-Backbone interact. energy: -2.104
local terms energy: -293.811282
where:
bonds (distance) C4'-P energy: -50.857
bonds (distance) P-C4' energy: -63.905
flat angles C4'-P-C4' energy: -67.671
flat angles P-C4'-P energy: -44.414
tors. eta vs tors. theta energy: -66.964
Dist. restrs. and SS energy: 4.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -925.332219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.332219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.900468 (E_RNA)
where:
Base-Base interactions energy: -653.563
where: short stacking energy: -259.501
Base-Backbone interact. energy: -1.655
local terms energy: -273.682533
where:
bonds (distance) C4'-P energy: -53.367
bonds (distance) P-C4' energy: -59.230
flat angles C4'-P-C4' energy: -68.332
flat angles P-C4'-P energy: -37.550
tors. eta vs tors. theta energy: -55.204
Dist. restrs. and SS energy: 3.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -912.228787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.228787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.090244 (E_RNA)
where:
Base-Base interactions energy: -667.014
where: short stacking energy: -247.345
Base-Backbone interact. energy: -0.632
local terms energy: -252.444482
where:
bonds (distance) C4'-P energy: -47.961
bonds (distance) P-C4' energy: -62.164
flat angles C4'-P-C4' energy: -54.286
flat angles P-C4'-P energy: -29.793
tors. eta vs tors. theta energy: -58.240
Dist. restrs. and SS energy: 7.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -816.970772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.970772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.202800 (E_RNA)
where:
Base-Base interactions energy: -569.687
where: short stacking energy: -217.203
Base-Backbone interact. energy: 2.023
local terms energy: -257.539049
where:
bonds (distance) C4'-P energy: -50.903
bonds (distance) P-C4' energy: -55.255
flat angles C4'-P-C4' energy: -58.044
flat angles P-C4'-P energy: -39.494
tors. eta vs tors. theta energy: -53.843
Dist. restrs. and SS energy: 8.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -1218.717307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.717307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.730202 (E_RNA)
where:
Base-Base interactions energy: -842.731
where: short stacking energy: -358.538
Base-Backbone interact. energy: -3.067
local terms energy: -375.932327
where:
bonds (distance) C4'-P energy: -57.902
bonds (distance) P-C4' energy: -76.376
flat angles C4'-P-C4' energy: -75.041
flat angles P-C4'-P energy: -59.398
tors. eta vs tors. theta energy: -107.214
Dist. restrs. and SS energy: 3.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -1183.268225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.268225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.739743 (E_RNA)
where:
Base-Base interactions energy: -809.398
where: short stacking energy: -344.274
Base-Backbone interact. energy: -0.711
local terms energy: -376.630821
where:
bonds (distance) C4'-P energy: -63.673
bonds (distance) P-C4' energy: -72.053
flat angles C4'-P-C4' energy: -80.364
flat angles P-C4'-P energy: -59.435
tors. eta vs tors. theta energy: -101.106
Dist. restrs. and SS energy: 3.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -1171.525051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.525051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.909125 (E_RNA)
where:
Base-Base interactions energy: -824.419
where: short stacking energy: -348.147
Base-Backbone interact. energy: 2.779
local terms energy: -353.269607
where:
bonds (distance) C4'-P energy: -57.980
bonds (distance) P-C4' energy: -63.917
flat angles C4'-P-C4' energy: -78.612
flat angles P-C4'-P energy: -47.434
tors. eta vs tors. theta energy: -105.326
Dist. restrs. and SS energy: 3.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -1081.154410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.154410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.656068 (E_RNA)
where:
Base-Base interactions energy: -757.061
where: short stacking energy: -304.223
Base-Backbone interact. energy: 1.441
local terms energy: -329.035904
where:
bonds (distance) C4'-P energy: -65.578
bonds (distance) P-C4' energy: -69.028
flat angles C4'-P-C4' energy: -57.381
flat angles P-C4'-P energy: -50.998
tors. eta vs tors. theta energy: -86.050
Dist. restrs. and SS energy: 3.502 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -1074.564364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.564364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.016895 (E_RNA)
where:
Base-Base interactions energy: -765.185
where: short stacking energy: -298.365
Base-Backbone interact. energy: -1.360
local terms energy: -311.472200
where:
bonds (distance) C4'-P energy: -60.005
bonds (distance) P-C4' energy: -63.417
flat angles C4'-P-C4' energy: -67.574
flat angles P-C4'-P energy: -42.878
tors. eta vs tors. theta energy: -77.599
Dist. restrs. and SS energy: 3.453 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -994.686522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.686522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.764417 (E_RNA)
where:
Base-Base interactions energy: -682.757
where: short stacking energy: -270.295
Base-Backbone interact. energy: 0.635
local terms energy: -315.643034
where:
bonds (distance) C4'-P energy: -54.938
bonds (distance) P-C4' energy: -60.248
flat angles C4'-P-C4' energy: -75.933
flat angles P-C4'-P energy: -45.980
tors. eta vs tors. theta energy: -78.545
Dist. restrs. and SS energy: 3.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -950.837712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.837712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.178523 (E_RNA)
where:
Base-Base interactions energy: -661.750
where: short stacking energy: -252.355
Base-Backbone interact. energy: -2.434
local terms energy: -293.994506
where:
bonds (distance) C4'-P energy: -46.243
bonds (distance) P-C4' energy: -54.693
flat angles C4'-P-C4' energy: -68.315
flat angles P-C4'-P energy: -46.994
tors. eta vs tors. theta energy: -77.749
Dist. restrs. and SS energy: 7.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -931.641348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.641348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.296452 (E_RNA)
where:
Base-Base interactions energy: -633.063
where: short stacking energy: -250.460
Base-Backbone interact. energy: 0.080
local terms energy: -302.313233
where:
bonds (distance) C4'-P energy: -56.892
bonds (distance) P-C4' energy: -63.163
flat angles C4'-P-C4' energy: -70.437
flat angles P-C4'-P energy: -45.980
tors. eta vs tors. theta energy: -65.840
Dist. restrs. and SS energy: 3.655 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -838.352971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.352971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.553382 (E_RNA)
where:
Base-Base interactions energy: -592.329
where: short stacking energy: -239.496
Base-Backbone interact. energy: -4.153
local terms energy: -253.071415
where:
bonds (distance) C4'-P energy: -38.143
bonds (distance) P-C4' energy: -55.121
flat angles C4'-P-C4' energy: -61.891
flat angles P-C4'-P energy: -33.012
tors. eta vs tors. theta energy: -64.905
Dist. restrs. and SS energy: 11.200 (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: 9
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -829.559188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.559188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.782524 (E_RNA)
where:
Base-Base interactions energy: -573.518
where: short stacking energy: -225.694
Base-Backbone interact. energy: 2.115
local terms energy: -264.379206
where:
bonds (distance) C4'-P energy: -49.382
bonds (distance) P-C4' energy: -63.916
flat angles C4'-P-C4' energy: -55.957
flat angles P-C4'-P energy: -42.846
tors. eta vs tors. theta energy: -52.278
Dist. restrs. and SS energy: 6.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -1208.868170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.868170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.619109 (E_RNA)
where:
Base-Base interactions energy: -852.657
where: short stacking energy: -354.640
Base-Backbone interact. energy: -3.409
local terms energy: -356.553167
where:
bonds (distance) C4'-P energy: -70.009
bonds (distance) P-C4' energy: -67.425
flat angles C4'-P-C4' energy: -77.138
flat angles P-C4'-P energy: -39.760
tors. eta vs tors. theta energy: -102.221
Dist. restrs. and SS energy: 3.751 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -1187.922147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.922147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.485218 (E_RNA)
where:
Base-Base interactions energy: -821.245
where: short stacking energy: -328.090
Base-Backbone interact. energy: -4.135
local terms energy: -366.105847
where:
bonds (distance) C4'-P energy: -65.508
bonds (distance) P-C4' energy: -68.817
flat angles C4'-P-C4' energy: -81.411
flat angles P-C4'-P energy: -51.626
tors. eta vs tors. theta energy: -98.743
Dist. restrs. and SS energy: 3.563 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -1138.983763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.983763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.258886 (E_RNA)
where:
Base-Base interactions energy: -795.494
where: short stacking energy: -331.399
Base-Backbone interact. energy: -3.512
local terms energy: -344.252493
where:
bonds (distance) C4'-P energy: -53.974
bonds (distance) P-C4' energy: -68.096
flat angles C4'-P-C4' energy: -81.256
flat angles P-C4'-P energy: -53.921
tors. eta vs tors. theta energy: -87.005
Dist. restrs. and SS energy: 4.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -1110.224809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.224809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.033121 (E_RNA)
where:
Base-Base interactions energy: -778.059
where: short stacking energy: -319.955
Base-Backbone interact. energy: -3.861
local terms energy: -331.112359
where:
bonds (distance) C4'-P energy: -69.009
bonds (distance) P-C4' energy: -53.937
flat angles C4'-P-C4' energy: -70.778
flat angles P-C4'-P energy: -47.232
tors. eta vs tors. theta energy: -90.156
Dist. restrs. and SS energy: 2.808 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -1049.532377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.532377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.950789 (E_RNA)
where:
Base-Base interactions energy: -732.156
where: short stacking energy: -269.754
Base-Backbone interact. energy: -1.810
local terms energy: -318.985673
where:
bonds (distance) C4'-P energy: -57.495
bonds (distance) P-C4' energy: -63.743
flat angles C4'-P-C4' energy: -76.581
flat angles P-C4'-P energy: -38.973
tors. eta vs tors. theta energy: -82.194
Dist. restrs. and SS energy: 3.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -1009.650155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.650155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.220222 (E_RNA)
where:
Base-Base interactions energy: -707.111
where: short stacking energy: -273.675
Base-Backbone interact. energy: -0.560
local terms energy: -307.548752
where:
bonds (distance) C4'-P energy: -48.228
bonds (distance) P-C4' energy: -66.990
flat angles C4'-P-C4' energy: -71.605
flat angles P-C4'-P energy: -42.766
tors. eta vs tors. theta energy: -77.959
Dist. restrs. and SS energy: 5.570 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -951.964535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.964535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.231817 (E_RNA)
where:
Base-Base interactions energy: -677.800
where: short stacking energy: -264.712
Base-Backbone interact. energy: 1.047
local terms energy: -283.478583
where:
bonds (distance) C4'-P energy: -47.622
bonds (distance) P-C4' energy: -60.066
flat angles C4'-P-C4' energy: -55.282
flat angles P-C4'-P energy: -45.665
tors. eta vs tors. theta energy: -74.842
Dist. restrs. and SS energy: 8.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -938.206224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.206224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.161181 (E_RNA)
where:
Base-Base interactions energy: -657.798
where: short stacking energy: -270.911
Base-Backbone interact. energy: -0.208
local terms energy: -284.155383
where:
bonds (distance) C4'-P energy: -58.319
bonds (distance) P-C4' energy: -59.346
flat angles C4'-P-C4' energy: -62.415
flat angles P-C4'-P energy: -30.090
tors. eta vs tors. theta energy: -73.986
Dist. restrs. and SS energy: 3.955 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -791.144753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.144753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.519578 (E_RNA)
where:
Base-Base interactions energy: -563.150
where: short stacking energy: -223.437
Base-Backbone interact. energy: 5.538
local terms energy: -243.906956
where:
bonds (distance) C4'-P energy: -43.865
bonds (distance) P-C4' energy: -65.000
flat angles C4'-P-C4' energy: -58.783
flat angles P-C4'-P energy: -36.117
tors. eta vs tors. theta energy: -40.143
Dist. restrs. and SS energy: 10.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -905.299615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.299615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.092151 (E_RNA)
where:
Base-Base interactions energy: -637.315
where: short stacking energy: -268.271
Base-Backbone interact. energy: -0.940
local terms energy: -271.836845
where:
bonds (distance) C4'-P energy: -52.491
bonds (distance) P-C4' energy: -53.835
flat angles C4'-P-C4' energy: -60.865
flat angles P-C4'-P energy: -51.367
tors. eta vs tors. theta energy: -53.278
Dist. restrs. and SS energy: 4.793 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -1192.588168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.588168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.461643 (E_RNA)
where:
Base-Base interactions energy: -816.835
where: short stacking energy: -347.176
Base-Backbone interact. energy: -1.217
local terms energy: -378.409327
where:
bonds (distance) C4'-P energy: -67.980
bonds (distance) P-C4' energy: -72.787
flat angles C4'-P-C4' energy: -75.097
flat angles P-C4'-P energy: -56.941
tors. eta vs tors. theta energy: -105.605
Dist. restrs. and SS energy: 3.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -1182.437620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.437620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.219969 (E_RNA)
where:
Base-Base interactions energy: -840.149
where: short stacking energy: -334.929
Base-Backbone interact. energy: -2.060
local terms energy: -343.010858
where:
bonds (distance) C4'-P energy: -57.121
bonds (distance) P-C4' energy: -62.170
flat angles C4'-P-C4' energy: -78.930
flat angles P-C4'-P energy: -49.888
tors. eta vs tors. theta energy: -94.901
Dist. restrs. and SS energy: 2.782 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -1166.961854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.961854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.156681 (E_RNA)
where:
Base-Base interactions energy: -830.234
where: short stacking energy: -342.694
Base-Backbone interact. energy: -0.297
local terms energy: -339.625630
where:
bonds (distance) C4'-P energy: -64.413
bonds (distance) P-C4' energy: -48.247
flat angles C4'-P-C4' energy: -81.839
flat angles P-C4'-P energy: -49.948
tors. eta vs tors. theta energy: -95.179
Dist. restrs. and SS energy: 3.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -1067.065921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.065921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.604469 (E_RNA)
where:
Base-Base interactions energy: -744.905
where: short stacking energy: -290.496
Base-Backbone interact. energy: -2.057
local terms energy: -325.643113
where:
bonds (distance) C4'-P energy: -51.113
bonds (distance) P-C4' energy: -73.039
flat angles C4'-P-C4' energy: -72.213
flat angles P-C4'-P energy: -44.676
tors. eta vs tors. theta energy: -84.602
Dist. restrs. and SS energy: 5.539 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -1046.004226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.004226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.757363 (E_RNA)
where:
Base-Base interactions energy: -743.196
where: short stacking energy: -284.885
Base-Backbone interact. energy: -2.541
local terms energy: -304.020951
where:
bonds (distance) C4'-P energy: -61.844
bonds (distance) P-C4' energy: -53.215
flat angles C4'-P-C4' energy: -70.436
flat angles P-C4'-P energy: -42.861
tors. eta vs tors. theta energy: -75.665
Dist. restrs. and SS energy: 3.753 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -987.476983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.476983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.716443 (E_RNA)
where:
Base-Base interactions energy: -702.787
where: short stacking energy: -284.412
Base-Backbone interact. energy: 3.947
local terms energy: -293.876146
where:
bonds (distance) C4'-P energy: -62.305
bonds (distance) P-C4' energy: -53.192
flat angles C4'-P-C4' energy: -63.645
flat angles P-C4'-P energy: -41.721
tors. eta vs tors. theta energy: -73.013
Dist. restrs. and SS energy: 5.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -953.935466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.935466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.507749 (E_RNA)
where:
Base-Base interactions energy: -699.500
where: short stacking energy: -259.030
Base-Backbone interact. energy: -2.069
local terms energy: -257.938271
where:
bonds (distance) C4'-P energy: -48.060
bonds (distance) P-C4' energy: -56.530
flat angles C4'-P-C4' energy: -45.032
flat angles P-C4'-P energy: -43.230
tors. eta vs tors. theta energy: -65.086
Dist. restrs. and SS energy: 5.572 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -912.796283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.796283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.435489 (E_RNA)
where:
Base-Base interactions energy: -637.953
where: short stacking energy: -246.459
Base-Backbone interact. energy: -1.058
local terms energy: -277.424418
where:
bonds (distance) C4'-P energy: -52.464
bonds (distance) P-C4' energy: -58.725
flat angles C4'-P-C4' energy: -63.448
flat angles P-C4'-P energy: -39.537
tors. eta vs tors. theta energy: -63.250
Dist. restrs. and SS energy: 3.639 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -910.273543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.273543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.285061 (E_RNA)
where:
Base-Base interactions energy: -628.079
where: short stacking energy: -241.523
Base-Backbone interact. energy: -1.912
local terms energy: -284.294465
where:
bonds (distance) C4'-P energy: -56.923
bonds (distance) P-C4' energy: -59.341
flat angles C4'-P-C4' energy: -59.786
flat angles P-C4'-P energy: -53.001
tors. eta vs tors. theta energy: -55.243
Dist. restrs. and SS energy: 4.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -805.231246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.231246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.624266 (E_RNA)
where:
Base-Base interactions energy: -599.271
where: short stacking energy: -229.421
Base-Backbone interact. energy: -1.046
local terms energy: -215.307849
where:
bonds (distance) C4'-P energy: -34.510
bonds (distance) P-C4' energy: -60.830
flat angles C4'-P-C4' energy: -54.572
flat angles P-C4'-P energy: -23.380
tors. eta vs tors. theta energy: -42.016
Dist. restrs. and SS energy: 10.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -1192.340536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.340536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.812250 (E_RNA)
where:
Base-Base interactions energy: -830.010
where: short stacking energy: -352.104
Base-Backbone interact. energy: -2.672
local terms energy: -363.129527
where:
bonds (distance) C4'-P energy: -74.419
bonds (distance) P-C4' energy: -64.988
flat angles C4'-P-C4' energy: -74.945
flat angles P-C4'-P energy: -54.121
tors. eta vs tors. theta energy: -94.658
Dist. restrs. and SS energy: 3.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -1161.196742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.196742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.383100 (E_RNA)
where:
Base-Base interactions energy: -831.693
where: short stacking energy: -330.116
Base-Backbone interact. energy: 6.865
local terms energy: -339.555821
where:
bonds (distance) C4'-P energy: -59.992
bonds (distance) P-C4' energy: -63.917
flat angles C4'-P-C4' energy: -70.072
flat angles P-C4'-P energy: -51.663
tors. eta vs tors. theta energy: -93.912
Dist. restrs. and SS energy: 3.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -1164.355787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.355787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.562053 (E_RNA)
where:
Base-Base interactions energy: -829.950
where: short stacking energy: -329.368
Base-Backbone interact. energy: -1.629
local terms energy: -335.982466
where:
bonds (distance) C4'-P energy: -65.448
bonds (distance) P-C4' energy: -57.638
flat angles C4'-P-C4' energy: -68.075
flat angles P-C4'-P energy: -45.697
tors. eta vs tors. theta energy: -99.124
Dist. restrs. and SS energy: 3.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -1078.105830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.105830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.407029 (E_RNA)
where:
Base-Base interactions energy: -743.930
where: short stacking energy: -301.841
Base-Backbone interact. energy: -0.825
local terms energy: -336.651921
where:
bonds (distance) C4'-P energy: -61.929
bonds (distance) P-C4' energy: -70.328
flat angles C4'-P-C4' energy: -75.872
flat angles P-C4'-P energy: -50.799
tors. eta vs tors. theta energy: -77.724
Dist. restrs. and SS energy: 3.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -1058.197084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.197084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.390725 (E_RNA)
where:
Base-Base interactions energy: -755.008
where: short stacking energy: -301.814
Base-Backbone interact. energy: -1.814
local terms energy: -304.568967
where:
bonds (distance) C4'-P energy: -61.138
bonds (distance) P-C4' energy: -52.015
flat angles C4'-P-C4' energy: -68.802
flat angles P-C4'-P energy: -44.081
tors. eta vs tors. theta energy: -78.534
Dist. restrs. and SS energy: 3.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -957.954879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.954879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.809771 (E_RNA)
where:
Base-Base interactions energy: -661.439
where: short stacking energy: -267.594
Base-Backbone interact. energy: -1.255
local terms energy: -299.115574
where:
bonds (distance) C4'-P energy: -64.092
bonds (distance) P-C4' energy: -61.368
flat angles C4'-P-C4' energy: -60.594
flat angles P-C4'-P energy: -41.478
tors. eta vs tors. theta energy: -71.584
Dist. restrs. and SS energy: 3.855 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -951.405999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.405999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.974144 (E_RNA)
where:
Base-Base interactions energy: -666.834
where: short stacking energy: -266.335
Base-Backbone interact. energy: -2.261
local terms energy: -286.878949
where:
bonds (distance) C4'-P energy: -42.454
bonds (distance) P-C4' energy: -66.172
flat angles C4'-P-C4' energy: -69.585
flat angles P-C4'-P energy: -45.250
tors. eta vs tors. theta energy: -63.417
Dist. restrs. and SS energy: 4.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -912.035368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.035368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.692023 (E_RNA)
where:
Base-Base interactions energy: -654.984
where: short stacking energy: -245.774
Base-Backbone interact. energy: -1.240
local terms energy: -259.467603
where:
bonds (distance) C4'-P energy: -42.798
bonds (distance) P-C4' energy: -60.309
flat angles C4'-P-C4' energy: -57.327
flat angles P-C4'-P energy: -42.752
tors. eta vs tors. theta energy: -56.282
Dist. restrs. and SS energy: 3.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -861.317770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.317770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.620118 (E_RNA)
where:
Base-Base interactions energy: -594.910
where: short stacking energy: -222.065
Base-Backbone interact. energy: -0.837
local terms energy: -278.872698
where:
bonds (distance) C4'-P energy: -60.253
bonds (distance) P-C4' energy: -62.644
flat angles C4'-P-C4' energy: -69.765
flat angles P-C4'-P energy: -31.578
tors. eta vs tors. theta energy: -54.633
Dist. restrs. and SS energy: 13.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -803.393427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.393427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.023095 (E_RNA)
where:
Base-Base interactions energy: -576.650
where: short stacking energy: -219.424
Base-Backbone interact. energy: -2.138
local terms energy: -239.235370
where:
bonds (distance) C4'-P energy: -42.459
bonds (distance) P-C4' energy: -56.774
flat angles C4'-P-C4' energy: -63.478
flat angles P-C4'-P energy: -32.391
tors. eta vs tors. theta energy: -44.133
Dist. restrs. and SS energy: 14.630 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -1202.943914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.943914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.993752 (E_RNA)
where:
Base-Base interactions energy: -844.655
where: short stacking energy: -346.094
Base-Backbone interact. energy: -1.934
local terms energy: -359.404784
where:
bonds (distance) C4'-P energy: -60.061
bonds (distance) P-C4' energy: -66.549
flat angles C4'-P-C4' energy: -81.118
flat angles P-C4'-P energy: -50.543
tors. eta vs tors. theta energy: -101.134
Dist. restrs. and SS energy: 3.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -1161.104753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.104753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.233456 (E_RNA)
where:
Base-Base interactions energy: -788.702
where: short stacking energy: -322.220
Base-Backbone interact. energy: -1.303
local terms energy: -375.228039
where:
bonds (distance) C4'-P energy: -67.799
bonds (distance) P-C4' energy: -68.518
flat angles C4'-P-C4' energy: -82.950
flat angles P-C4'-P energy: -62.301
tors. eta vs tors. theta energy: -93.660
Dist. restrs. and SS energy: 4.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -1127.540682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.540682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.425013 (E_RNA)
where:
Base-Base interactions energy: -796.025
where: short stacking energy: -308.954
Base-Backbone interact. energy: -2.986
local terms energy: -331.413929
where:
bonds (distance) C4'-P energy: -60.805
bonds (distance) P-C4' energy: -66.572
flat angles C4'-P-C4' energy: -72.260
flat angles P-C4'-P energy: -47.239
tors. eta vs tors. theta energy: -84.539
Dist. restrs. and SS energy: 2.884 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -1074.159643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.159643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.149222 (E_RNA)
where:
Base-Base interactions energy: -756.322
where: short stacking energy: -313.510
Base-Backbone interact. energy: 1.433
local terms energy: -324.260244
where:
bonds (distance) C4'-P energy: -57.534
bonds (distance) P-C4' energy: -54.678
flat angles C4'-P-C4' energy: -73.990
flat angles P-C4'-P energy: -54.615
tors. eta vs tors. theta energy: -83.443
Dist. restrs. and SS energy: 4.990 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -1050.230954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.230954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.048482 (E_RNA)
where:
Base-Base interactions energy: -736.601
where: short stacking energy: -282.560
Base-Backbone interact. energy: -0.863
local terms energy: -316.584157
where:
bonds (distance) C4'-P energy: -61.282
bonds (distance) P-C4' energy: -66.476
flat angles C4'-P-C4' energy: -70.705
flat angles P-C4'-P energy: -45.905
tors. eta vs tors. theta energy: -72.216
Dist. restrs. and SS energy: 3.818 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -980.552646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.552646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.286815 (E_RNA)
where:
Base-Base interactions energy: -691.729
where: short stacking energy: -275.480
Base-Backbone interact. energy: 0.880
local terms energy: -293.438646
where:
bonds (distance) C4'-P energy: -57.180
bonds (distance) P-C4' energy: -60.222
flat angles C4'-P-C4' energy: -58.086
flat angles P-C4'-P energy: -40.591
tors. eta vs tors. theta energy: -77.359
Dist. restrs. and SS energy: 3.734 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -962.536044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.536044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.715271 (E_RNA)
where:
Base-Base interactions energy: -668.407
where: short stacking energy: -272.218
Base-Backbone interact. energy: 1.524
local terms energy: -298.832348
where:
bonds (distance) C4'-P energy: -56.561
bonds (distance) P-C4' energy: -62.519
flat angles C4'-P-C4' energy: -67.415
flat angles P-C4'-P energy: -44.285
tors. eta vs tors. theta energy: -68.053
Dist. restrs. and SS energy: 3.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -961.695513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.695513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.340227 (E_RNA)
where:
Base-Base interactions energy: -673.384
where: short stacking energy: -260.812
Base-Backbone interact. energy: 1.796
local terms energy: -295.752125
where:
bonds (distance) C4'-P energy: -50.647
bonds (distance) P-C4' energy: -59.722
flat angles C4'-P-C4' energy: -66.081
flat angles P-C4'-P energy: -53.426
tors. eta vs tors. theta energy: -65.876
Dist. restrs. and SS energy: 5.645 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -857.116960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.116960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.905155 (E_RNA)
where:
Base-Base interactions energy: -599.504
where: short stacking energy: -235.930
Base-Backbone interact. energy: -0.969
local terms energy: -271.432681
where:
bonds (distance) C4'-P energy: -66.781
bonds (distance) P-C4' energy: -49.160
flat angles C4'-P-C4' energy: -59.946
flat angles P-C4'-P energy: -33.426
tors. eta vs tors. theta energy: -62.120
Dist. restrs. and SS energy: 14.788 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -812.645760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.645760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.072809 (E_RNA)
where:
Base-Base interactions energy: -564.037
where: short stacking energy: -222.204
Base-Backbone interact. energy: -1.830
local terms energy: -254.205822
where:
bonds (distance) C4'-P energy: -55.116
bonds (distance) P-C4' energy: -56.380
flat angles C4'-P-C4' energy: -48.670
flat angles P-C4'-P energy: -34.127
tors. eta vs tors. theta energy: -59.912
Dist. restrs. and SS energy: 7.427 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -1208.666384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.666384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.832427 (E_RNA)
where:
Base-Base interactions energy: -832.183
where: short stacking energy: -353.749
Base-Backbone interact. energy: -0.041
local terms energy: -379.608110
where:
bonds (distance) C4'-P energy: -64.367
bonds (distance) P-C4' energy: -66.766
flat angles C4'-P-C4' energy: -82.351
flat angles P-C4'-P energy: -58.982
tors. eta vs tors. theta energy: -107.142
Dist. restrs. and SS energy: 3.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -1186.314437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.314437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.966348 (E_RNA)
where:
Base-Base interactions energy: -837.417
where: short stacking energy: -350.519
Base-Backbone interact. energy: -1.655
local terms energy: -350.894689
where:
bonds (distance) C4'-P energy: -62.335
bonds (distance) P-C4' energy: -66.825
flat angles C4'-P-C4' energy: -74.002
flat angles P-C4'-P energy: -51.661
tors. eta vs tors. theta energy: -96.072
Dist. restrs. and SS energy: 3.652 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -1157.155498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.155498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.191613 (E_RNA)
where:
Base-Base interactions energy: -814.481
where: short stacking energy: -327.183
Base-Backbone interact. energy: -2.640
local terms energy: -343.070843
where:
bonds (distance) C4'-P energy: -60.862
bonds (distance) P-C4' energy: -65.630
flat angles C4'-P-C4' energy: -71.792
flat angles P-C4'-P energy: -51.952
tors. eta vs tors. theta energy: -92.834
Dist. restrs. and SS energy: 3.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -1071.022092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.022092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.362173 (E_RNA)
where:
Base-Base interactions energy: -764.761
where: short stacking energy: -300.415
Base-Backbone interact. energy: 0.291
local terms energy: -309.892421
where:
bonds (distance) C4'-P energy: -59.241
bonds (distance) P-C4' energy: -62.942
flat angles C4'-P-C4' energy: -70.861
flat angles P-C4'-P energy: -39.429
tors. eta vs tors. theta energy: -77.420
Dist. restrs. and SS energy: 3.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -1038.439222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.439222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.885468 (E_RNA)
where:
Base-Base interactions energy: -739.496
where: short stacking energy: -271.257
Base-Backbone interact. energy: 1.071
local terms energy: -303.459752
where:
bonds (distance) C4'-P energy: -54.663
bonds (distance) P-C4' energy: -71.364
flat angles C4'-P-C4' energy: -63.418
flat angles P-C4'-P energy: -47.262
tors. eta vs tors. theta energy: -66.753
Dist. restrs. and SS energy: 3.446 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -966.924113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.924113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.234240 (E_RNA)
where:
Base-Base interactions energy: -668.819
where: short stacking energy: -273.777
Base-Backbone interact. energy: 0.944
local terms energy: -310.358453
where:
bonds (distance) C4'-P energy: -64.512
bonds (distance) P-C4' energy: -68.362
flat angles C4'-P-C4' energy: -65.835
flat angles P-C4'-P energy: -45.895
tors. eta vs tors. theta energy: -65.754
Dist. restrs. and SS energy: 11.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -924.155348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.155348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.397198 (E_RNA)
where:
Base-Base interactions energy: -674.307
where: short stacking energy: -259.941
Base-Backbone interact. energy: -2.389
local terms energy: -251.701205
where:
bonds (distance) C4'-P energy: -54.133
bonds (distance) P-C4' energy: -44.612
flat angles C4'-P-C4' energy: -53.754
flat angles P-C4'-P energy: -35.077
tors. eta vs tors. theta energy: -64.125
Dist. restrs. and SS energy: 4.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -922.779380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.779380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.391808 (E_RNA)
where:
Base-Base interactions energy: -641.860
where: short stacking energy: -242.536
Base-Backbone interact. energy: -1.577
local terms energy: -282.955185
where:
bonds (distance) C4'-P energy: -51.437
bonds (distance) P-C4' energy: -66.708
flat angles C4'-P-C4' energy: -66.918
flat angles P-C4'-P energy: -36.567
tors. eta vs tors. theta energy: -61.326
Dist. restrs. and SS energy: 3.612 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -898.484965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.484965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.720394 (E_RNA)
where:
Base-Base interactions energy: -616.211
where: short stacking energy: -225.969
Base-Backbone interact. energy: 2.256
local terms energy: -289.765931
where:
bonds (distance) C4'-P energy: -71.002
bonds (distance) P-C4' energy: -60.368
flat angles C4'-P-C4' energy: -58.116
flat angles P-C4'-P energy: -42.402
tors. eta vs tors. theta energy: -57.878
Dist. restrs. and SS energy: 5.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -840.141509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.141509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.620400 (E_RNA)
where:
Base-Base interactions energy: -591.829
where: short stacking energy: -228.674
Base-Backbone interact. energy: -1.966
local terms energy: -257.825433
where:
bonds (distance) C4'-P energy: -56.814
bonds (distance) P-C4' energy: -53.531
flat angles C4'-P-C4' energy: -55.406
flat angles P-C4'-P energy: -38.883
tors. eta vs tors. theta energy: -53.191
Dist. restrs. and SS energy: 11.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -1197.934531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.934531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.230027 (E_RNA)
where:
Base-Base interactions energy: -833.955
where: short stacking energy: -328.278
Base-Backbone interact. energy: 2.373
local terms energy: -369.648791
where:
bonds (distance) C4'-P energy: -69.626
bonds (distance) P-C4' energy: -74.376
flat angles C4'-P-C4' energy: -76.379
flat angles P-C4'-P energy: -51.257
tors. eta vs tors. theta energy: -98.010
Dist. restrs. and SS energy: 3.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -1174.455144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.455144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.141698 (E_RNA)
where:
Base-Base interactions energy: -823.413
where: short stacking energy: -323.360
Base-Backbone interact. energy: -5.168
local terms energy: -348.560497
where:
bonds (distance) C4'-P energy: -68.742
bonds (distance) P-C4' energy: -61.139
flat angles C4'-P-C4' energy: -77.147
flat angles P-C4'-P energy: -46.281
tors. eta vs tors. theta energy: -95.251
Dist. restrs. and SS energy: 2.687 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -1098.882262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.882262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.490209 (E_RNA)
where:
Base-Base interactions energy: -765.449
where: short stacking energy: -295.838
Base-Backbone interact. energy: 0.823
local terms energy: -337.863376
where:
bonds (distance) C4'-P energy: -72.310
bonds (distance) P-C4' energy: -69.946
flat angles C4'-P-C4' energy: -72.920
flat angles P-C4'-P energy: -46.765
tors. eta vs tors. theta energy: -75.923
Dist. restrs. and SS energy: 3.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -1082.739488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.739488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.319740 (E_RNA)
where:
Base-Base interactions energy: -764.672
where: short stacking energy: -320.760
Base-Backbone interact. energy: -0.260
local terms energy: -321.387588
where:
bonds (distance) C4'-P energy: -62.685
bonds (distance) P-C4' energy: -69.615
flat angles C4'-P-C4' energy: -62.644
flat angles P-C4'-P energy: -44.562
tors. eta vs tors. theta energy: -81.880
Dist. restrs. and SS energy: 3.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -1074.712172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.712172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.058368 (E_RNA)
where:
Base-Base interactions energy: -766.293
where: short stacking energy: -289.298
Base-Backbone interact. energy: -1.310
local terms energy: -310.455356
where:
bonds (distance) C4'-P energy: -56.822
bonds (distance) P-C4' energy: -60.811
flat angles C4'-P-C4' energy: -73.899
flat angles P-C4'-P energy: -41.943
tors. eta vs tors. theta energy: -76.981
Dist. restrs. and SS energy: 3.346 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -1002.085917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.085917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.707886 (E_RNA)
where:
Base-Base interactions energy: -700.714
where: short stacking energy: -274.901
Base-Backbone interact. energy: 1.261
local terms energy: -308.255314
where:
bonds (distance) C4'-P energy: -66.064
bonds (distance) P-C4' energy: -44.931
flat angles C4'-P-C4' energy: -71.934
flat angles P-C4'-P energy: -49.090
tors. eta vs tors. theta energy: -76.237
Dist. restrs. and SS energy: 5.622 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -983.873190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.873190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.934457 (E_RNA)
where:
Base-Base interactions energy: -706.372
where: short stacking energy: -291.099
Base-Backbone interact. energy: 0.843
local terms energy: -283.404783
where:
bonds (distance) C4'-P energy: -57.283
bonds (distance) P-C4' energy: -49.623
flat angles C4'-P-C4' energy: -62.455
flat angles P-C4'-P energy: -37.061
tors. eta vs tors. theta energy: -76.982
Dist. restrs. and SS energy: 5.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -919.824602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.824602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.385364 (E_RNA)
where:
Base-Base interactions energy: -632.108
where: short stacking energy: -244.506
Base-Backbone interact. energy: 3.144
local terms energy: -298.422102
where:
bonds (distance) C4'-P energy: -59.793
bonds (distance) P-C4' energy: -69.905
flat angles C4'-P-C4' energy: -65.216
flat angles P-C4'-P energy: -45.682
tors. eta vs tors. theta energy: -57.826
Dist. restrs. and SS energy: 7.561 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -867.745619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.745619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.942581 (E_RNA)
where:
Base-Base interactions energy: -634.186
where: short stacking energy: -250.831
Base-Backbone interact. energy: -0.699
local terms energy: -239.058051
where:
bonds (distance) C4'-P energy: -35.828
bonds (distance) P-C4' energy: -55.407
flat angles C4'-P-C4' energy: -65.700
flat angles P-C4'-P energy: -23.294
tors. eta vs tors. theta energy: -58.830
Dist. restrs. and SS energy: 6.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -826.352791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.352791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.771561 (E_RNA)
where:
Base-Base interactions energy: -569.529
where: short stacking energy: -216.087
Base-Backbone interact. energy: 1.926
local terms energy: -263.168160
where:
bonds (distance) C4'-P energy: -54.295
bonds (distance) P-C4' energy: -60.403
flat angles C4'-P-C4' energy: -61.729
flat angles P-C4'-P energy: -36.274
tors. eta vs tors. theta energy: -50.468
Dist. restrs. and SS energy: 4.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -1200.151676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.151676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.804333 (E_RNA)
where:
Base-Base interactions energy: -845.152
where: short stacking energy: -334.972
Base-Backbone interact. energy: -0.891
local terms energy: -356.760601
where:
bonds (distance) C4'-P energy: -59.468
bonds (distance) P-C4' energy: -68.534
flat angles C4'-P-C4' energy: -70.314
flat angles P-C4'-P energy: -57.537
tors. eta vs tors. theta energy: -100.908
Dist. restrs. and SS energy: 2.653 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -1161.664860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.664860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.466512 (E_RNA)
where:
Base-Base interactions energy: -807.719
where: short stacking energy: -320.542
Base-Backbone interact. energy: -2.830
local terms energy: -354.917840
where:
bonds (distance) C4'-P energy: -73.724
bonds (distance) P-C4' energy: -68.333
flat angles C4'-P-C4' energy: -67.775
flat angles P-C4'-P energy: -46.145
tors. eta vs tors. theta energy: -98.939
Dist. restrs. and SS energy: 3.802 (S_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: 57
Temperature: 1.000000
Total energy: -1094.613177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.613177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.820256 (E_RNA)
where:
Base-Base interactions energy: -774.093
where: short stacking energy: -306.966
Base-Backbone interact. energy: -1.369
local terms energy: -322.357865
where:
bonds (distance) C4'-P energy: -59.955
bonds (distance) P-C4' energy: -65.561
flat angles C4'-P-C4' energy: -63.533
flat angles P-C4'-P energy: -46.616
tors. eta vs tors. theta energy: -86.692
Dist. restrs. and SS energy: 3.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -1106.541595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.541595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.183254 (E_RNA)
where:
Base-Base interactions energy: -766.440
where: short stacking energy: -298.731
Base-Backbone interact. energy: -4.247
local terms energy: -338.495877
where:
bonds (distance) C4'-P energy: -57.462
bonds (distance) P-C4' energy: -72.160
flat angles C4'-P-C4' energy: -72.299
flat angles P-C4'-P energy: -48.063
tors. eta vs tors. theta energy: -88.511
Dist. restrs. and SS energy: 2.642 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -1041.047537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.047537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.749840 (E_RNA)
where:
Base-Base interactions energy: -745.174
where: short stacking energy: -283.126
Base-Backbone interact. energy: -2.161
local terms energy: -296.415054
where:
bonds (distance) C4'-P energy: -49.699
bonds (distance) P-C4' energy: -74.214
flat angles C4'-P-C4' energy: -66.307
flat angles P-C4'-P energy: -27.031
tors. eta vs tors. theta energy: -79.163
Dist. restrs. and SS energy: 2.702 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -991.799002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.799002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.703390 (E_RNA)
where:
Base-Base interactions energy: -665.068
where: short stacking energy: -258.201
Base-Backbone interact. energy: -0.657
local terms energy: -328.978159
where:
bonds (distance) C4'-P energy: -66.515
bonds (distance) P-C4' energy: -66.109
flat angles C4'-P-C4' energy: -73.135
flat angles P-C4'-P energy: -53.902
tors. eta vs tors. theta energy: -69.317
Dist. restrs. and SS energy: 2.904 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -962.876548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.876548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.823298 (E_RNA)
where:
Base-Base interactions energy: -682.987
where: short stacking energy: -261.255
Base-Backbone interact. energy: 1.128
local terms energy: -289.963931
where:
bonds (distance) C4'-P energy: -53.992
bonds (distance) P-C4' energy: -55.039
flat angles C4'-P-C4' energy: -62.942
flat angles P-C4'-P energy: -45.294
tors. eta vs tors. theta energy: -72.697
Dist. restrs. and SS energy: 8.947 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -905.959896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.959896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.076783 (E_RNA)
where:
Base-Base interactions energy: -634.146
where: short stacking energy: -248.788
Base-Backbone interact. energy: 3.095
local terms energy: -279.026211
where:
bonds (distance) C4'-P energy: -52.203
bonds (distance) P-C4' energy: -63.203
flat angles C4'-P-C4' energy: -63.711
flat angles P-C4'-P energy: -41.312
tors. eta vs tors. theta energy: -58.599
Dist. restrs. and SS energy: 4.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -915.418604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.418604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.150625 (E_RNA)
where:
Base-Base interactions energy: -648.946
where: short stacking energy: -260.196
Base-Backbone interact. energy: -1.783
local terms energy: -271.421660
where:
bonds (distance) C4'-P energy: -57.239
bonds (distance) P-C4' energy: -46.532
flat angles C4'-P-C4' energy: -61.486
flat angles P-C4'-P energy: -42.865
tors. eta vs tors. theta energy: -63.300
Dist. restrs. and SS energy: 6.732 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -799.074723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.074723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.860780 (E_RNA)
where:
Base-Base interactions energy: -550.785
where: short stacking energy: -215.061
Base-Backbone interact. energy: 2.296
local terms energy: -259.371588
where:
bonds (distance) C4'-P energy: -60.371
bonds (distance) P-C4' energy: -49.066
flat angles C4'-P-C4' energy: -57.526
flat angles P-C4'-P energy: -39.830
tors. eta vs tors. theta energy: -52.578
Dist. restrs. and SS energy: 8.786 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -1198.795329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.795329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.021299 (E_RNA)
where:
Base-Base interactions energy: -844.241
where: short stacking energy: -333.539
Base-Backbone interact. energy: -3.112
local terms energy: -354.668403
where:
bonds (distance) C4'-P energy: -67.216
bonds (distance) P-C4' energy: -73.173
flat angles C4'-P-C4' energy: -69.621
flat angles P-C4'-P energy: -49.517
tors. eta vs tors. theta energy: -95.142
Dist. restrs. and SS energy: 3.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -1166.949237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.949237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.836949 (E_RNA)
where:
Base-Base interactions energy: -814.383
where: short stacking energy: -340.528
Base-Backbone interact. energy: -0.875
local terms energy: -354.578829
where:
bonds (distance) C4'-P energy: -61.715
bonds (distance) P-C4' energy: -64.976
flat angles C4'-P-C4' energy: -69.193
flat angles P-C4'-P energy: -61.548
tors. eta vs tors. theta energy: -97.147
Dist. restrs. and SS energy: 2.888 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -1122.462900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.462900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.618907 (E_RNA)
where:
Base-Base interactions energy: -783.100
where: short stacking energy: -313.500
Base-Backbone interact. energy: -0.452
local terms energy: -343.066655
where:
bonds (distance) C4'-P energy: -67.557
bonds (distance) P-C4' energy: -61.645
flat angles C4'-P-C4' energy: -78.675
flat angles P-C4'-P energy: -45.631
tors. eta vs tors. theta energy: -89.559
Dist. restrs. and SS energy: 4.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -1096.543451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.543451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.887034 (E_RNA)
where:
Base-Base interactions energy: -756.518
where: short stacking energy: -325.422
Base-Backbone interact. energy: -3.327
local terms energy: -340.042443
where:
bonds (distance) C4'-P energy: -65.274
bonds (distance) P-C4' energy: -62.888
flat angles C4'-P-C4' energy: -71.134
flat angles P-C4'-P energy: -50.157
tors. eta vs tors. theta energy: -90.589
Dist. restrs. and SS energy: 3.344 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -1061.020173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.020173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.276688 (E_RNA)
where:
Base-Base interactions energy: -740.615
where: short stacking energy: -303.673
Base-Backbone interact. energy: -0.994
local terms energy: -322.667400
where:
bonds (distance) C4'-P energy: -60.909
bonds (distance) P-C4' energy: -66.704
flat angles C4'-P-C4' energy: -68.877
flat angles P-C4'-P energy: -42.442
tors. eta vs tors. theta energy: -83.736
Dist. restrs. and SS energy: 3.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -996.379700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.379700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.782457 (E_RNA)
where:
Base-Base interactions energy: -691.415
where: short stacking energy: -278.060
Base-Backbone interact. energy: 0.169
local terms energy: -308.536225
where:
bonds (distance) C4'-P energy: -60.487
bonds (distance) P-C4' energy: -66.467
flat angles C4'-P-C4' energy: -64.452
flat angles P-C4'-P energy: -42.054
tors. eta vs tors. theta energy: -75.075
Dist. restrs. and SS energy: 3.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -968.900864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.900864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.713636 (E_RNA)
where:
Base-Base interactions energy: -695.318
where: short stacking energy: -286.400
Base-Backbone interact. energy: -1.552
local terms energy: -279.843711
where:
bonds (distance) C4'-P energy: -65.711
bonds (distance) P-C4' energy: -55.379
flat angles C4'-P-C4' energy: -60.888
flat angles P-C4'-P energy: -33.767
tors. eta vs tors. theta energy: -64.098
Dist. restrs. and SS energy: 7.813 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -913.810795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.810795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.487279 (E_RNA)
where:
Base-Base interactions energy: -641.318
where: short stacking energy: -235.640
Base-Backbone interact. energy: -1.433
local terms energy: -276.736754
where:
bonds (distance) C4'-P energy: -54.250
bonds (distance) P-C4' energy: -58.898
flat angles C4'-P-C4' energy: -54.896
flat angles P-C4'-P energy: -44.850
tors. eta vs tors. theta energy: -63.842
Dist. restrs. and SS energy: 5.676 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -894.434476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.434476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.355255 (E_RNA)
where:
Base-Base interactions energy: -637.720
where: short stacking energy: -249.368
Base-Backbone interact. energy: 2.043
local terms energy: -268.678076
where:
bonds (distance) C4'-P energy: -46.387
bonds (distance) P-C4' energy: -56.045
flat angles C4'-P-C4' energy: -67.891
flat angles P-C4'-P energy: -43.132
tors. eta vs tors. theta energy: -55.222
Dist. restrs. and SS energy: 9.921 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -786.229217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.229217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.723400 (E_RNA)
where:
Base-Base interactions energy: -562.716
where: short stacking energy: -215.592
Base-Backbone interact. energy: 3.692
local terms energy: -237.699589
where:
bonds (distance) C4'-P energy: -49.228
bonds (distance) P-C4' energy: -60.310
flat angles C4'-P-C4' energy: -53.386
flat angles P-C4'-P energy: -32.509
tors. eta vs tors. theta energy: -42.266
Dist. restrs. and SS energy: 10.494 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -1185.218989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.218989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.356408 (E_RNA)
where:
Base-Base interactions energy: -813.275
where: short stacking energy: -335.741
Base-Backbone interact. energy: -4.169
local terms energy: -370.912496
where:
bonds (distance) C4'-P energy: -67.613
bonds (distance) P-C4' energy: -77.149
flat angles C4'-P-C4' energy: -72.058
flat angles P-C4'-P energy: -53.420
tors. eta vs tors. theta energy: -100.673
Dist. restrs. and SS energy: 3.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -1164.584546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.584546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.419167 (E_RNA)
where:
Base-Base interactions energy: -813.812
where: short stacking energy: -327.694
Base-Backbone interact. energy: 1.074
local terms energy: -354.681006
where:
bonds (distance) C4'-P energy: -63.821
bonds (distance) P-C4' energy: -66.794
flat angles C4'-P-C4' energy: -77.565
flat angles P-C4'-P energy: -57.442
tors. eta vs tors. theta energy: -89.059
Dist. restrs. and SS energy: 2.835 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -1157.848502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.848502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.701964 (E_RNA)
where:
Base-Base interactions energy: -800.911
where: short stacking energy: -339.740
Base-Backbone interact. energy: -3.464
local terms energy: -357.327267
where:
bonds (distance) C4'-P energy: -67.915
bonds (distance) P-C4' energy: -69.890
flat angles C4'-P-C4' energy: -77.244
flat angles P-C4'-P energy: -47.323
tors. eta vs tors. theta energy: -94.956
Dist. restrs. and SS energy: 3.853 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -1092.477813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.477813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.382610 (E_RNA)
where:
Base-Base interactions energy: -768.901
where: short stacking energy: -287.711
Base-Backbone interact. energy: -2.899
local terms energy: -323.582292
where:
bonds (distance) C4'-P energy: -47.981
bonds (distance) P-C4' energy: -65.998
flat angles C4'-P-C4' energy: -67.376
flat angles P-C4'-P energy: -53.944
tors. eta vs tors. theta energy: -88.283
Dist. restrs. and SS energy: 2.905 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -1031.514649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.514649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.366749 (E_RNA)
where:
Base-Base interactions energy: -712.916
where: short stacking energy: -293.795
Base-Backbone interact. energy: -2.249
local terms energy: -319.202073
where:
bonds (distance) C4'-P energy: -57.040
bonds (distance) P-C4' energy: -68.387
flat angles C4'-P-C4' energy: -71.115
flat angles P-C4'-P energy: -41.471
tors. eta vs tors. theta energy: -81.189
Dist. restrs. and SS energy: 2.852 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -1004.380785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.380785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.429086 (E_RNA)
where:
Base-Base interactions energy: -681.337
where: short stacking energy: -271.957
Base-Backbone interact. energy: -2.436
local terms energy: -323.656266
where:
bonds (distance) C4'-P energy: -63.362
bonds (distance) P-C4' energy: -59.075
flat angles C4'-P-C4' energy: -67.477
flat angles P-C4'-P energy: -55.774
tors. eta vs tors. theta energy: -77.968
Dist. restrs. and SS energy: 3.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -920.373793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.373793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.643410 (E_RNA)
where:
Base-Base interactions energy: -654.384
where: short stacking energy: -258.586
Base-Backbone interact. energy: 1.596
local terms energy: -272.855055
where:
bonds (distance) C4'-P energy: -61.589
bonds (distance) P-C4' energy: -56.428
flat angles C4'-P-C4' energy: -54.646
flat angles P-C4'-P energy: -33.131
tors. eta vs tors. theta energy: -67.061
Dist. restrs. and SS energy: 5.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -919.474399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.474399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.987619 (E_RNA)
where:
Base-Base interactions energy: -649.545
where: short stacking energy: -243.505
Base-Backbone interact. energy: 1.292
local terms energy: -278.734860
where:
bonds (distance) C4'-P energy: -51.310
bonds (distance) P-C4' energy: -69.136
flat angles C4'-P-C4' energy: -59.886
flat angles P-C4'-P energy: -37.842
tors. eta vs tors. theta energy: -60.561
Dist. restrs. and SS energy: 7.513 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -875.396872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.396872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.550256 (E_RNA)
where:
Base-Base interactions energy: -613.216
where: short stacking energy: -237.871
Base-Backbone interact. energy: -2.106
local terms energy: -271.228331
where:
bonds (distance) C4'-P energy: -45.814
bonds (distance) P-C4' energy: -54.313
flat angles C4'-P-C4' energy: -64.347
flat angles P-C4'-P energy: -40.220
tors. eta vs tors. theta energy: -66.534
Dist. restrs. and SS energy: 11.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -827.302597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.302597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.472624 (E_RNA)
where:
Base-Base interactions energy: -590.738
where: short stacking energy: -210.381
Base-Backbone interact. energy: -0.976
local terms energy: -246.758585
where:
bonds (distance) C4'-P energy: -43.477
bonds (distance) P-C4' energy: -52.964
flat angles C4'-P-C4' energy: -52.014
flat angles P-C4'-P energy: -48.822
tors. eta vs tors. theta energy: -49.481
Dist. restrs. and SS energy: 11.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -1210.246153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.246153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.902400 (E_RNA)
where:
Base-Base interactions energy: -842.254
where: short stacking energy: -364.975
Base-Backbone interact. energy: -2.003
local terms energy: -368.645183
where:
bonds (distance) C4'-P energy: -65.890
bonds (distance) P-C4' energy: -67.589
flat angles C4'-P-C4' energy: -77.451
flat angles P-C4'-P energy: -53.526
tors. eta vs tors. theta energy: -104.188
Dist. restrs. and SS energy: 2.656 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -1178.558408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.558408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.524790 (E_RNA)
where:
Base-Base interactions energy: -840.820
where: short stacking energy: -330.817
Base-Backbone interact. energy: -0.614
local terms energy: -340.090705
where:
bonds (distance) C4'-P energy: -56.429
bonds (distance) P-C4' energy: -71.055
flat angles C4'-P-C4' energy: -73.863
flat angles P-C4'-P energy: -45.867
tors. eta vs tors. theta energy: -92.877
Dist. restrs. and SS energy: 2.966 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -1142.467339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.467339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.537272 (E_RNA)
where:
Base-Base interactions energy: -799.588
where: short stacking energy: -327.045
Base-Backbone interact. energy: -1.910
local terms energy: -344.038625
where:
bonds (distance) C4'-P energy: -66.407
bonds (distance) P-C4' energy: -60.626
flat angles C4'-P-C4' energy: -71.178
flat angles P-C4'-P energy: -52.785
tors. eta vs tors. theta energy: -93.043
Dist. restrs. and SS energy: 3.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -1122.417295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.417295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.991235 (E_RNA)
where:
Base-Base interactions energy: -807.012
where: short stacking energy: -319.931
Base-Backbone interact. energy: 0.251
local terms energy: -319.230689
where:
bonds (distance) C4'-P energy: -63.226
bonds (distance) P-C4' energy: -60.114
flat angles C4'-P-C4' energy: -68.199
flat angles P-C4'-P energy: -44.651
tors. eta vs tors. theta energy: -83.041
Dist. restrs. and SS energy: 3.574 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -1053.505089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.505089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.592731 (E_RNA)
where:
Base-Base interactions energy: -734.256
where: short stacking energy: -290.480
Base-Backbone interact. energy: -0.160
local terms energy: -322.176843
where:
bonds (distance) C4'-P energy: -60.227
bonds (distance) P-C4' energy: -65.537
flat angles C4'-P-C4' energy: -70.122
flat angles P-C4'-P energy: -45.424
tors. eta vs tors. theta energy: -80.867
Dist. restrs. and SS energy: 3.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -1004.683689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.683689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.946591 (E_RNA)
where:
Base-Base interactions energy: -697.175
where: short stacking energy: -295.983
Base-Backbone interact. energy: -1.086
local terms energy: -310.685476
where:
bonds (distance) C4'-P energy: -59.534
bonds (distance) P-C4' energy: -58.789
flat angles C4'-P-C4' energy: -68.724
flat angles P-C4'-P energy: -44.202
tors. eta vs tors. theta energy: -79.436
Dist. restrs. and SS energy: 4.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -947.599796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.599796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.214440 (E_RNA)
where:
Base-Base interactions energy: -666.475
where: short stacking energy: -263.287
Base-Backbone interact. energy: -1.050
local terms energy: -283.689838
where:
bonds (distance) C4'-P energy: -61.530
bonds (distance) P-C4' energy: -58.591
flat angles C4'-P-C4' energy: -65.624
flat angles P-C4'-P energy: -31.609
tors. eta vs tors. theta energy: -66.336
Dist. restrs. and SS energy: 3.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -936.886030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.886030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.226617 (E_RNA)
where:
Base-Base interactions energy: -669.295
where: short stacking energy: -260.366
Base-Backbone interact. energy: 0.368
local terms energy: -271.298923
where:
bonds (distance) C4'-P energy: -47.518
bonds (distance) P-C4' energy: -61.848
flat angles C4'-P-C4' energy: -62.672
flat angles P-C4'-P energy: -42.553
tors. eta vs tors. theta energy: -56.708
Dist. restrs. and SS energy: 3.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -856.939235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.939235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.268922 (E_RNA)
where:
Base-Base interactions energy: -586.476
where: short stacking energy: -236.548
Base-Backbone interact. energy: 1.782
local terms energy: -281.575314
where:
bonds (distance) C4'-P energy: -56.183
bonds (distance) P-C4' energy: -56.782
flat angles C4'-P-C4' energy: -62.608
flat angles P-C4'-P energy: -45.788
tors. eta vs tors. theta energy: -60.214
Dist. restrs. and SS energy: 9.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -813.412546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.412546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.724888 (E_RNA)
where:
Base-Base interactions energy: -580.202
where: short stacking energy: -223.530
Base-Backbone interact. energy: -1.629
local terms energy: -237.893599
where:
bonds (distance) C4'-P energy: -49.176
bonds (distance) P-C4' energy: -55.348
flat angles C4'-P-C4' energy: -59.270
flat angles P-C4'-P energy: -20.947
tors. eta vs tors. theta energy: -53.152
Dist. restrs. and SS energy: 6.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -1186.322946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.322946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.804824 (E_RNA)
where:
Base-Base interactions energy: -826.233
where: short stacking energy: -357.158
Base-Backbone interact. energy: 0.404
local terms energy: -364.975523
where:
bonds (distance) C4'-P energy: -60.718
bonds (distance) P-C4' energy: -73.449
flat angles C4'-P-C4' energy: -71.787
flat angles P-C4'-P energy: -55.553
tors. eta vs tors. theta energy: -103.469
Dist. restrs. and SS energy: 4.482 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -1200.633370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.633370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.853982 (E_RNA)
where:
Base-Base interactions energy: -840.926
where: short stacking energy: -322.267
Base-Backbone interact. energy: -2.293
local terms energy: -360.635461
where:
bonds (distance) C4'-P energy: -69.132
bonds (distance) P-C4' energy: -73.433
flat angles C4'-P-C4' energy: -70.791
flat angles P-C4'-P energy: -55.716
tors. eta vs tors. theta energy: -91.565
Dist. restrs. and SS energy: 3.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -1148.064643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.064643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.270584 (E_RNA)
where:
Base-Base interactions energy: -802.456
where: short stacking energy: -331.805
Base-Backbone interact. energy: -0.798
local terms energy: -348.016725
where:
bonds (distance) C4'-P energy: -64.444
bonds (distance) P-C4' energy: -67.072
flat angles C4'-P-C4' energy: -70.805
flat angles P-C4'-P energy: -52.296
tors. eta vs tors. theta energy: -93.399
Dist. restrs. and SS energy: 3.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -1132.185162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.185162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.267867 (E_RNA)
where:
Base-Base interactions energy: -806.796
where: short stacking energy: -319.142
Base-Backbone interact. energy: -1.648
local terms energy: -326.824154
where:
bonds (distance) C4'-P energy: -70.852
bonds (distance) P-C4' energy: -63.247
flat angles C4'-P-C4' energy: -72.846
flat angles P-C4'-P energy: -33.931
tors. eta vs tors. theta energy: -85.948
Dist. restrs. and SS energy: 3.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -1055.514300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.514300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.607830 (E_RNA)
where:
Base-Base interactions energy: -728.551
where: short stacking energy: -288.073
Base-Backbone interact. energy: -1.402
local terms energy: -329.655047
where:
bonds (distance) C4'-P energy: -62.170
bonds (distance) P-C4' energy: -61.556
flat angles C4'-P-C4' energy: -75.542
flat angles P-C4'-P energy: -50.452
tors. eta vs tors. theta energy: -79.935
Dist. restrs. and SS energy: 4.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -974.791642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.791642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.374283 (E_RNA)
where:
Base-Base interactions energy: -683.738
where: short stacking energy: -259.778
Base-Backbone interact. energy: -3.068
local terms energy: -292.568410
where:
bonds (distance) C4'-P energy: -59.109
bonds (distance) P-C4' energy: -68.711
flat angles C4'-P-C4' energy: -58.625
flat angles P-C4'-P energy: -37.471
tors. eta vs tors. theta energy: -68.652
Dist. restrs. and SS energy: 4.583 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -950.188390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.188390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.167323 (E_RNA)
where:
Base-Base interactions energy: -681.564
where: short stacking energy: -253.220
Base-Backbone interact. energy: -2.661
local terms energy: -269.942206
where:
bonds (distance) C4'-P energy: -54.970
bonds (distance) P-C4' energy: -57.435
flat angles C4'-P-C4' energy: -50.037
flat angles P-C4'-P energy: -50.523
tors. eta vs tors. theta energy: -56.976
Dist. restrs. and SS energy: 3.979 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -854.494283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.494283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.256099 (E_RNA)
where:
Base-Base interactions energy: -598.442
where: short stacking energy: -239.419
Base-Backbone interact. energy: 2.887
local terms energy: -266.700746
where:
bonds (distance) C4'-P energy: -62.783
bonds (distance) P-C4' energy: -57.438
flat angles C4'-P-C4' energy: -60.512
flat angles P-C4'-P energy: -29.112
tors. eta vs tors. theta energy: -56.855
Dist. restrs. and SS energy: 7.762 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -876.101793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.101793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.924966 (E_RNA)
where:
Base-Base interactions energy: -646.220
where: short stacking energy: -250.679
Base-Backbone interact. energy: -2.186
local terms energy: -237.518536
where:
bonds (distance) C4'-P energy: -31.752
bonds (distance) P-C4' energy: -56.845
flat angles C4'-P-C4' energy: -54.174
flat angles P-C4'-P energy: -37.035
tors. eta vs tors. theta energy: -57.712
Dist. restrs. and SS energy: 9.823 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -825.462697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.462697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.899696 (E_RNA)
where:
Base-Base interactions energy: -581.201
where: short stacking energy: -216.457
Base-Backbone interact. energy: -1.381
local terms energy: -248.317388
where:
bonds (distance) C4'-P energy: -41.356
bonds (distance) P-C4' energy: -55.777
flat angles C4'-P-C4' energy: -49.804
flat angles P-C4'-P energy: -48.069
tors. eta vs tors. theta energy: -53.312
Dist. restrs. and SS energy: 5.437 (S_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: 62
Temperature: 0.900000
Total energy: -1191.971815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.971815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.380914 (E_RNA)
where:
Base-Base interactions energy: -829.080
where: short stacking energy: -332.010
Base-Backbone interact. energy: -1.122
local terms energy: -364.178937
where:
bonds (distance) C4'-P energy: -68.571
bonds (distance) P-C4' energy: -69.393
flat angles C4'-P-C4' energy: -78.346
flat angles P-C4'-P energy: -50.352
tors. eta vs tors. theta energy: -97.517
Dist. restrs. and SS energy: 2.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -1176.320879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.320879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.263310 (E_RNA)
where:
Base-Base interactions energy: -818.073
where: short stacking energy: -341.165
Base-Backbone interact. energy: -1.565
local terms energy: -360.624619
where:
bonds (distance) C4'-P energy: -67.088
bonds (distance) P-C4' energy: -74.430
flat angles C4'-P-C4' energy: -64.520
flat angles P-C4'-P energy: -58.229
tors. eta vs tors. theta energy: -96.357
Dist. restrs. and SS energy: 3.942 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -1142.511616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.511616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.625764 (E_RNA)
where:
Base-Base interactions energy: -796.190
where: short stacking energy: -329.125
Base-Backbone interact. energy: -1.881
local terms energy: -347.555152
where:
bonds (distance) C4'-P energy: -62.689
bonds (distance) P-C4' energy: -72.239
flat angles C4'-P-C4' energy: -67.648
flat angles P-C4'-P energy: -54.509
tors. eta vs tors. theta energy: -90.470
Dist. restrs. and SS energy: 3.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -1082.044609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.044609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.615431 (E_RNA)
where:
Base-Base interactions energy: -766.772
where: short stacking energy: -306.834
Base-Backbone interact. energy: -1.842
local terms energy: -317.001264
where:
bonds (distance) C4'-P energy: -65.144
bonds (distance) P-C4' energy: -46.384
flat angles C4'-P-C4' energy: -74.934
flat angles P-C4'-P energy: -47.250
tors. eta vs tors. theta energy: -83.289
Dist. restrs. and SS energy: 3.571 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -1103.448778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.448778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.702873 (E_RNA)
where:
Base-Base interactions energy: -762.914
where: short stacking energy: -320.425
Base-Backbone interact. energy: 1.061
local terms energy: -344.849596
where:
bonds (distance) C4'-P energy: -63.325
bonds (distance) P-C4' energy: -67.887
flat angles C4'-P-C4' energy: -71.006
flat angles P-C4'-P energy: -45.436
tors. eta vs tors. theta energy: -97.196
Dist. restrs. and SS energy: 3.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -1026.635628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.635628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.747274 (E_RNA)
where:
Base-Base interactions energy: -720.727
where: short stacking energy: -305.277
Base-Backbone interact. energy: 0.109
local terms energy: -312.129165
where:
bonds (distance) C4'-P energy: -55.347
bonds (distance) P-C4' energy: -53.211
flat angles C4'-P-C4' energy: -74.978
flat angles P-C4'-P energy: -45.981
tors. eta vs tors. theta energy: -82.612
Dist. restrs. and SS energy: 6.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -944.803520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.803520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.685571 (E_RNA)
where:
Base-Base interactions energy: -659.346
where: short stacking energy: -251.106
Base-Backbone interact. energy: -1.780
local terms energy: -287.559931
where:
bonds (distance) C4'-P energy: -53.537
bonds (distance) P-C4' energy: -60.429
flat angles C4'-P-C4' energy: -70.587
flat angles P-C4'-P energy: -41.339
tors. eta vs tors. theta energy: -61.668
Dist. restrs. and SS energy: 3.882 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -856.441025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.441025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.850066 (E_RNA)
where:
Base-Base interactions energy: -614.000
where: short stacking energy: -228.969
Base-Backbone interact. energy: 5.613
local terms energy: -252.462213
where:
bonds (distance) C4'-P energy: -49.410
bonds (distance) P-C4' energy: -62.032
flat angles C4'-P-C4' energy: -59.463
flat angles P-C4'-P energy: -35.285
tors. eta vs tors. theta energy: -46.272
Dist. restrs. and SS energy: 4.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -880.093487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.093487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.564550 (E_RNA)
where:
Base-Base interactions energy: -636.358
where: short stacking energy: -250.726
Base-Backbone interact. energy: -0.670
local terms energy: -251.537037
where:
bonds (distance) C4'-P energy: -46.126
bonds (distance) P-C4' energy: -46.915
flat angles C4'-P-C4' energy: -59.196
flat angles P-C4'-P energy: -40.200
tors. eta vs tors. theta energy: -59.099
Dist. restrs. and SS energy: 8.471 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -842.670191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.670191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.018063 (E_RNA)
where:
Base-Base interactions energy: -589.317
where: short stacking energy: -227.199
Base-Backbone interact. energy: -2.007
local terms energy: -259.694439
where:
bonds (distance) C4'-P energy: -43.844
bonds (distance) P-C4' energy: -57.693
flat angles C4'-P-C4' energy: -55.294
flat angles P-C4'-P energy: -38.139
tors. eta vs tors. theta energy: -64.725
Dist. restrs. and SS energy: 8.348 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -1209.756862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.756862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.296203 (E_RNA)
where:
Base-Base interactions energy: -830.630
where: short stacking energy: -331.952
Base-Backbone interact. energy: -1.818
local terms energy: -379.848066
where:
bonds (distance) C4'-P energy: -73.448
bonds (distance) P-C4' energy: -73.441
flat angles C4'-P-C4' energy: -75.835
flat angles P-C4'-P energy: -57.808
tors. eta vs tors. theta energy: -99.316
Dist. restrs. and SS energy: 2.539 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -1196.874848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.874848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.343310 (E_RNA)
where:
Base-Base interactions energy: -841.524
where: short stacking energy: -342.939
Base-Backbone interact. energy: -1.406
local terms energy: -357.412445
where:
bonds (distance) C4'-P energy: -57.174
bonds (distance) P-C4' energy: -74.534
flat angles C4'-P-C4' energy: -79.290
flat angles P-C4'-P energy: -58.172
tors. eta vs tors. theta energy: -88.242
Dist. restrs. and SS energy: 3.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -1159.359483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.359483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.288152 (E_RNA)
where:
Base-Base interactions energy: -806.172
where: short stacking energy: -330.396
Base-Backbone interact. energy: -0.703
local terms energy: -356.412755
where:
bonds (distance) C4'-P energy: -63.886
bonds (distance) P-C4' energy: -62.534
flat angles C4'-P-C4' energy: -79.369
flat angles P-C4'-P energy: -56.218
tors. eta vs tors. theta energy: -94.406
Dist. restrs. and SS energy: 3.929 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -1090.477694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.477694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.652051 (E_RNA)
where:
Base-Base interactions energy: -770.236
where: short stacking energy: -311.915
Base-Backbone interact. energy: 1.400
local terms energy: -324.816292
where:
bonds (distance) C4'-P energy: -59.832
bonds (distance) P-C4' energy: -69.505
flat angles C4'-P-C4' energy: -77.689
flat angles P-C4'-P energy: -31.044
tors. eta vs tors. theta energy: -86.747
Dist. restrs. and SS energy: 3.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -1038.145307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.145307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.256056 (E_RNA)
where:
Base-Base interactions energy: -718.595
where: short stacking energy: -294.758
Base-Backbone interact. energy: -0.620
local terms energy: -323.040922
where:
bonds (distance) C4'-P energy: -56.632
bonds (distance) P-C4' energy: -66.265
flat angles C4'-P-C4' energy: -71.866
flat angles P-C4'-P energy: -41.637
tors. eta vs tors. theta energy: -86.641
Dist. restrs. and SS energy: 4.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -1030.139621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.139621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.231648 (E_RNA)
where:
Base-Base interactions energy: -735.081
where: short stacking energy: -291.928
Base-Backbone interact. energy: -1.757
local terms energy: -297.393886
where:
bonds (distance) C4'-P energy: -47.817
bonds (distance) P-C4' energy: -58.018
flat angles C4'-P-C4' energy: -64.518
flat angles P-C4'-P energy: -39.768
tors. eta vs tors. theta energy: -87.273
Dist. restrs. and SS energy: 4.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -911.152516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.152516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.219313 (E_RNA)
where:
Base-Base interactions energy: -640.838
where: short stacking energy: -240.158
Base-Backbone interact. energy: 0.318
local terms energy: -274.698982
where:
bonds (distance) C4'-P energy: -55.420
bonds (distance) P-C4' energy: -55.994
flat angles C4'-P-C4' energy: -61.264
flat angles P-C4'-P energy: -39.230
tors. eta vs tors. theta energy: -62.791
Dist. restrs. and SS energy: 4.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -914.443368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.443368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.187402 (E_RNA)
where:
Base-Base interactions energy: -659.331
where: short stacking energy: -251.556
Base-Backbone interact. energy: 2.570
local terms energy: -264.426731
where:
bonds (distance) C4'-P energy: -56.920
bonds (distance) P-C4' energy: -54.654
flat angles C4'-P-C4' energy: -60.812
flat angles P-C4'-P energy: -29.720
tors. eta vs tors. theta energy: -62.320
Dist. restrs. and SS energy: 6.744 (S_DIST_RNA)
chem. 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: -831.381185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.381185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.166699 (E_RNA)
where:
Base-Base interactions energy: -587.826
where: short stacking energy: -220.727
Base-Backbone interact. energy: 0.350
local terms energy: -254.690258
where:
bonds (distance) C4'-P energy: -56.008
bonds (distance) P-C4' energy: -49.618
flat angles C4'-P-C4' energy: -55.314
flat angles P-C4'-P energy: -44.179
tors. eta vs tors. theta energy: -49.571
Dist. restrs. and SS energy: 10.786 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -835.121457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.121457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.975787 (E_RNA)
where:
Base-Base interactions energy: -617.553
where: short stacking energy: -220.832
Base-Backbone interact. energy: 3.744
local terms energy: -227.167157
where:
bonds (distance) C4'-P energy: -47.373
bonds (distance) P-C4' energy: -53.982
flat angles C4'-P-C4' energy: -45.297
flat angles P-C4'-P energy: -29.227
tors. eta vs tors. theta energy: -51.287
Dist. restrs. and SS energy: 5.854 (S_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: 64
Temperature: 0.900000
Total energy: -1221.784111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.784111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.139700 (E_RNA)
where:
Base-Base interactions energy: -854.412
where: short stacking energy: -343.654
Base-Backbone interact. energy: -1.685
local terms energy: -369.042858
where:
bonds (distance) C4'-P energy: -73.344
bonds (distance) P-C4' energy: -62.311
flat angles C4'-P-C4' energy: -84.887
flat angles P-C4'-P energy: -56.925
tors. eta vs tors. theta energy: -91.575
Dist. restrs. and SS energy: 3.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -1173.283197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.283197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.717148 (E_RNA)
where:
Base-Base interactions energy: -829.504
where: short stacking energy: -328.147
Base-Backbone interact. energy: -3.453
local terms energy: -344.760549
where:
bonds (distance) C4'-P energy: -72.728
bonds (distance) P-C4' energy: -61.414
flat angles C4'-P-C4' energy: -70.357
flat angles P-C4'-P energy: -51.773
tors. eta vs tors. theta energy: -88.489
Dist. restrs. and SS energy: 4.434 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -1157.023732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.023732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.735682 (E_RNA)
where:
Base-Base interactions energy: -815.057
where: short stacking energy: -336.379
Base-Backbone interact. energy: -0.419
local terms energy: -344.259656
where:
bonds (distance) C4'-P energy: -61.125
bonds (distance) P-C4' energy: -65.937
flat angles C4'-P-C4' energy: -73.525
flat angles P-C4'-P energy: -48.249
tors. eta vs tors. theta energy: -95.423
Dist. restrs. and SS energy: 2.712 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -1090.837297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.837297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.342562 (E_RNA)
where:
Base-Base interactions energy: -761.355
where: short stacking energy: -308.274
Base-Backbone interact. energy: -3.214
local terms energy: -329.773480
where:
bonds (distance) C4'-P energy: -58.686
bonds (distance) P-C4' energy: -72.885
flat angles C4'-P-C4' energy: -70.757
flat angles P-C4'-P energy: -41.223
tors. eta vs tors. theta energy: -86.223
Dist. restrs. and SS energy: 3.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -1067.879841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.879841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.649375 (E_RNA)
where:
Base-Base interactions energy: -750.834
where: short stacking energy: -293.407
Base-Backbone interact. energy: -0.818
local terms energy: -318.997198
where:
bonds (distance) C4'-P energy: -53.289
bonds (distance) P-C4' energy: -64.319
flat angles C4'-P-C4' energy: -71.462
flat angles P-C4'-P energy: -46.018
tors. eta vs tors. theta energy: -83.909
Dist. restrs. and SS energy: 2.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -1001.610803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.610803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.842947 (E_RNA)
where:
Base-Base interactions energy: -690.604
where: short stacking energy: -294.419
Base-Backbone interact. energy: -2.948
local terms energy: -312.291043
where:
bonds (distance) C4'-P energy: -58.840
bonds (distance) P-C4' energy: -54.751
flat angles C4'-P-C4' energy: -66.627
flat angles P-C4'-P energy: -50.788
tors. eta vs tors. theta energy: -81.284
Dist. restrs. and SS energy: 4.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -902.044657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.044657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.963038 (E_RNA)
where:
Base-Base interactions energy: -649.923
where: short stacking energy: -252.706
Base-Backbone interact. energy: 0.127
local terms energy: -259.167530
where:
bonds (distance) C4'-P energy: -51.670
bonds (distance) P-C4' energy: -41.690
flat angles C4'-P-C4' energy: -63.483
flat angles P-C4'-P energy: -35.519
tors. eta vs tors. theta energy: -66.806
Dist. restrs. and SS energy: 6.918 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -894.926048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.926048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.481483 (E_RNA)
where:
Base-Base interactions energy: -636.520
where: short stacking energy: -244.519
Base-Backbone interact. energy: -3.095
local terms energy: -258.866435
where:
bonds (distance) C4'-P energy: -59.772
bonds (distance) P-C4' energy: -44.290
flat angles C4'-P-C4' energy: -54.301
flat angles P-C4'-P energy: -36.636
tors. eta vs tors. theta energy: -63.868
Dist. restrs. and SS energy: 3.555 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -848.126782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.126782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.211845 (E_RNA)
where:
Base-Base interactions energy: -614.872
where: short stacking energy: -231.615
Base-Backbone interact. energy: -0.338
local terms energy: -239.001742
where:
bonds (distance) C4'-P energy: -46.784
bonds (distance) P-C4' energy: -49.315
flat angles C4'-P-C4' energy: -55.950
flat angles P-C4'-P energy: -34.914
tors. eta vs tors. theta energy: -52.039
Dist. restrs. and SS energy: 6.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -795.376491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.376491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.385979 (E_RNA)
where:
Base-Base interactions energy: -575.756
where: short stacking energy: -204.609
Base-Backbone interact. energy: 1.513
local terms energy: -230.142506
where:
bonds (distance) C4'-P energy: -54.347
bonds (distance) P-C4' energy: -47.767
flat angles C4'-P-C4' energy: -63.641
flat angles P-C4'-P energy: -21.811
tors. eta vs tors. theta energy: -42.576
Dist. restrs. and SS energy: 9.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -1217.593946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.593946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.760161 (E_RNA)
where:
Base-Base interactions energy: -850.630
where: short stacking energy: -353.561
Base-Backbone interact. energy: 2.341
local terms energy: -372.471920
where:
bonds (distance) C4'-P energy: -74.227
bonds (distance) P-C4' energy: -72.242
flat angles C4'-P-C4' energy: -71.662
flat angles P-C4'-P energy: -53.251
tors. eta vs tors. theta energy: -101.090
Dist. restrs. and SS energy: 3.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -1166.756383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.756383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.898368 (E_RNA)
where:
Base-Base interactions energy: -812.462
where: short stacking energy: -338.694
Base-Backbone interact. energy: -1.899
local terms energy: -355.538051
where:
bonds (distance) C4'-P energy: -71.359
bonds (distance) P-C4' energy: -64.958
flat angles C4'-P-C4' energy: -79.439
flat angles P-C4'-P energy: -51.135
tors. eta vs tors. theta energy: -88.648
Dist. restrs. and SS energy: 3.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -1122.795857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.795857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.480876 (E_RNA)
where:
Base-Base interactions energy: -781.610
where: short stacking energy: -306.728
Base-Backbone interact. energy: 1.281
local terms energy: -345.152170
where:
bonds (distance) C4'-P energy: -58.050
bonds (distance) P-C4' energy: -80.298
flat angles C4'-P-C4' energy: -79.632
flat angles P-C4'-P energy: -41.323
tors. eta vs tors. theta energy: -85.849
Dist. restrs. and SS energy: 2.685 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -1106.858481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.858481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.841897 (E_RNA)
where:
Base-Base interactions energy: -790.235
where: short stacking energy: -310.491
Base-Backbone interact. energy: -2.933
local terms energy: -316.673759
where:
bonds (distance) C4'-P energy: -55.334
bonds (distance) P-C4' energy: -57.980
flat angles C4'-P-C4' energy: -70.758
flat angles P-C4'-P energy: -44.589
tors. eta vs tors. theta energy: -88.013
Dist. restrs. and SS energy: 2.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -1072.828968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.828968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.686706 (E_RNA)
where:
Base-Base interactions energy: -770.309
where: short stacking energy: -315.703
Base-Backbone interact. energy: 2.754
local terms energy: -308.132207
where:
bonds (distance) C4'-P energy: -60.945
bonds (distance) P-C4' energy: -51.491
flat angles C4'-P-C4' energy: -58.975
flat angles P-C4'-P energy: -49.531
tors. eta vs tors. theta energy: -87.191
Dist. restrs. and SS energy: 2.858 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -1005.703642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.703642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.331657 (E_RNA)
where:
Base-Base interactions energy: -706.313
where: short stacking energy: -298.911
Base-Backbone interact. energy: -1.556
local terms energy: -304.462317
where:
bonds (distance) C4'-P energy: -54.930
bonds (distance) P-C4' energy: -60.078
flat angles C4'-P-C4' energy: -56.253
flat angles P-C4'-P energy: -49.216
tors. eta vs tors. theta energy: -83.986
Dist. restrs. and SS energy: 6.628 (S_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: 65
Temperature: 1.200000
Total energy: -959.402418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.402418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.840393 (E_RNA)
where:
Base-Base interactions energy: -670.953
where: short stacking energy: -279.463
Base-Backbone interact. energy: -1.522
local terms energy: -290.365230
where:
bonds (distance) C4'-P energy: -54.038
bonds (distance) P-C4' energy: -65.094
flat angles C4'-P-C4' energy: -60.585
flat angles P-C4'-P energy: -41.460
tors. eta vs tors. theta energy: -69.189
Dist. restrs. and SS energy: 3.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -928.736870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.736870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.187950 (E_RNA)
where:
Base-Base interactions energy: -655.012
where: short stacking energy: -259.201
Base-Backbone interact. energy: 4.543
local terms energy: -282.718359
where:
bonds (distance) C4'-P energy: -52.079
bonds (distance) P-C4' energy: -64.723
flat angles C4'-P-C4' energy: -55.946
flat angles P-C4'-P energy: -50.825
tors. eta vs tors. theta energy: -59.146
Dist. restrs. and SS energy: 4.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -873.874999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.874999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.805072 (E_RNA)
where:
Base-Base interactions energy: -616.736
where: short stacking energy: -247.535
Base-Backbone interact. energy: -0.918
local terms energy: -266.151174
where:
bonds (distance) C4'-P energy: -52.844
bonds (distance) P-C4' energy: -55.272
flat angles C4'-P-C4' energy: -59.640
flat angles P-C4'-P energy: -41.130
tors. eta vs tors. theta energy: -57.266
Dist. restrs. and SS energy: 9.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -796.619314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.619314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.946394 (E_RNA)
where:
Base-Base interactions energy: -564.651
where: short stacking energy: -215.948
Base-Backbone interact. energy: -1.851
local terms energy: -233.444371
where:
bonds (distance) C4'-P energy: -46.324
bonds (distance) P-C4' energy: -51.366
flat angles C4'-P-C4' energy: -52.955
flat angles P-C4'-P energy: -34.996
tors. eta vs tors. theta energy: -47.803
Dist. restrs. and SS energy: 3.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -1222.716076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.716076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.037166 (E_RNA)
where:
Base-Base interactions energy: -860.820
where: short stacking energy: -337.468
Base-Backbone interact. energy: -5.049
local terms energy: -360.168551
where:
bonds (distance) C4'-P energy: -66.449
bonds (distance) P-C4' energy: -70.523
flat angles C4'-P-C4' energy: -69.450
flat angles P-C4'-P energy: -50.794
tors. eta vs tors. theta energy: -102.953
Dist. restrs. and SS energy: 3.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -1164.371605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.371605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.722264 (E_RNA)
where:
Base-Base interactions energy: -804.086
where: short stacking energy: -342.766
Base-Backbone interact. energy: -1.351
local terms energy: -362.285120
where:
bonds (distance) C4'-P energy: -54.568
bonds (distance) P-C4' energy: -73.991
flat angles C4'-P-C4' energy: -77.032
flat angles P-C4'-P energy: -52.600
tors. eta vs tors. theta energy: -104.094
Dist. restrs. and SS energy: 3.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -1118.673326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.673326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.097378 (E_RNA)
where:
Base-Base interactions energy: -780.366
where: short stacking energy: -314.694
Base-Backbone interact. energy: -1.134
local terms energy: -340.596874
where:
bonds (distance) C4'-P energy: -74.199
bonds (distance) P-C4' energy: -72.433
flat angles C4'-P-C4' energy: -69.211
flat angles P-C4'-P energy: -43.210
tors. eta vs tors. theta energy: -81.544
Dist. restrs. and SS energy: 3.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -1087.871136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.871136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.612947 (E_RNA)
where:
Base-Base interactions energy: -759.442
where: short stacking energy: -303.886
Base-Backbone interact. energy: -2.771
local terms energy: -328.400679
where:
bonds (distance) C4'-P energy: -71.757
bonds (distance) P-C4' energy: -60.844
flat angles C4'-P-C4' energy: -64.573
flat angles P-C4'-P energy: -46.894
tors. eta vs tors. theta energy: -84.334
Dist. restrs. and SS energy: 2.742 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -1022.868928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.868928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.716475 (E_RNA)
where:
Base-Base interactions energy: -717.186
where: short stacking energy: -285.205
Base-Backbone interact. energy: -0.898
local terms energy: -308.632664
where:
bonds (distance) C4'-P energy: -63.599
bonds (distance) P-C4' energy: -65.638
flat angles C4'-P-C4' energy: -65.373
flat angles P-C4'-P energy: -46.594
tors. eta vs tors. theta energy: -67.428
Dist. restrs. and SS energy: 3.848 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -996.870343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.870343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.040959 (E_RNA)
where:
Base-Base interactions energy: -711.904
where: short stacking energy: -288.297
Base-Backbone interact. energy: -2.260
local terms energy: -286.876497
where:
bonds (distance) C4'-P energy: -51.163
bonds (distance) P-C4' energy: -51.193
flat angles C4'-P-C4' energy: -61.703
flat angles P-C4'-P energy: -41.322
tors. eta vs tors. theta energy: -81.496
Dist. restrs. and SS energy: 4.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -944.739612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.739612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.814678 (E_RNA)
where:
Base-Base interactions energy: -665.401
where: short stacking energy: -261.802
Base-Backbone interact. energy: -1.625
local terms energy: -283.788362
where:
bonds (distance) C4'-P energy: -60.186
bonds (distance) P-C4' energy: -63.084
flat angles C4'-P-C4' energy: -52.689
flat angles P-C4'-P energy: -38.100
tors. eta vs tors. theta energy: -69.729
Dist. restrs. and SS energy: 6.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -930.964921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.964921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.916963 (E_RNA)
where:
Base-Base interactions energy: -670.714
where: short stacking energy: -252.100
Base-Backbone interact. energy: -2.066
local terms energy: -263.136836
where:
bonds (distance) C4'-P energy: -55.936
bonds (distance) P-C4' energy: -60.327
flat angles C4'-P-C4' energy: -50.666
flat angles P-C4'-P energy: -40.682
tors. eta vs tors. theta energy: -55.526
Dist. restrs. and SS energy: 4.952 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -820.955644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.955644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.731727 (E_RNA)
where:
Base-Base interactions energy: -591.814
where: short stacking energy: -227.895
Base-Backbone interact. energy: -0.732
local terms energy: -234.185652
where:
bonds (distance) C4'-P energy: -44.943
bonds (distance) P-C4' energy: -57.139
flat angles C4'-P-C4' energy: -57.753
flat angles P-C4'-P energy: -26.781
tors. eta vs tors. theta energy: -47.569
Dist. restrs. and SS energy: 5.776 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -871.280070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.280070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.344056 (E_RNA)
where:
Base-Base interactions energy: -612.524
where: short stacking energy: -245.624
Base-Backbone interact. energy: 0.170
local terms energy: -270.989543
where:
bonds (distance) C4'-P energy: -49.418
bonds (distance) P-C4' energy: -60.580
flat angles C4'-P-C4' energy: -68.145
flat angles P-C4'-P energy: -28.942
tors. eta vs tors. theta energy: -63.905
Dist. restrs. and SS energy: 12.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -1189.234597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.234597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.885814 (E_RNA)
where:
Base-Base interactions energy: -840.827
where: short stacking energy: -336.523
Base-Backbone interact. energy: -1.933
local terms energy: -349.125903
where:
bonds (distance) C4'-P energy: -73.530
bonds (distance) P-C4' energy: -64.933
flat angles C4'-P-C4' energy: -69.003
flat angles P-C4'-P energy: -47.487
tors. eta vs tors. theta energy: -94.173
Dist. restrs. and SS energy: 2.651 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -1168.288433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.288433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.352451 (E_RNA)
where:
Base-Base interactions energy: -805.785
where: short stacking energy: -312.309
Base-Backbone interact. energy: -0.262
local terms energy: -365.305456
where:
bonds (distance) C4'-P energy: -66.195
bonds (distance) P-C4' energy: -73.433
flat angles C4'-P-C4' energy: -73.075
flat angles P-C4'-P energy: -58.546
tors. eta vs tors. theta energy: -94.056
Dist. restrs. and SS energy: 3.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -1115.631275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.631275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.753486 (E_RNA)
where:
Base-Base interactions energy: -777.920
where: short stacking energy: -320.106
Base-Backbone interact. energy: -0.514
local terms energy: -340.320283
where:
bonds (distance) C4'-P energy: -53.256
bonds (distance) P-C4' energy: -75.576
flat angles C4'-P-C4' energy: -66.070
flat angles P-C4'-P energy: -48.458
tors. eta vs tors. theta energy: -96.961
Dist. restrs. and SS energy: 3.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -1079.151373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.151373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.190355 (E_RNA)
where:
Base-Base interactions energy: -748.483
where: short stacking energy: -310.223
Base-Backbone interact. energy: -0.912
local terms energy: -333.795515
where:
bonds (distance) C4'-P energy: -56.964
bonds (distance) P-C4' energy: -65.059
flat angles C4'-P-C4' energy: -72.052
flat angles P-C4'-P energy: -49.295
tors. eta vs tors. theta energy: -90.426
Dist. restrs. and SS energy: 4.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -1036.636094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.636094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.170491 (E_RNA)
where:
Base-Base interactions energy: -714.656
where: short stacking energy: -294.229
Base-Backbone interact. energy: -1.754
local terms energy: -323.759617
where:
bonds (distance) C4'-P energy: -59.437
bonds (distance) P-C4' energy: -70.816
flat angles C4'-P-C4' energy: -71.168
flat angles P-C4'-P energy: -49.655
tors. eta vs tors. theta energy: -72.685
Dist. restrs. and SS energy: 3.534 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -1017.962197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.962197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.192685 (E_RNA)
where:
Base-Base interactions energy: -724.860
where: short stacking energy: -275.622
Base-Backbone interact. energy: -2.988
local terms energy: -293.344182
where:
bonds (distance) C4'-P energy: -54.097
bonds (distance) P-C4' energy: -48.733
flat angles C4'-P-C4' energy: -68.493
flat angles P-C4'-P energy: -44.503
tors. eta vs tors. theta energy: -77.518
Dist. restrs. and SS energy: 3.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -947.675735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.675735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.999206 (E_RNA)
where:
Base-Base interactions energy: -672.668
where: short stacking energy: -276.469
Base-Backbone interact. energy: 1.513
local terms energy: -285.843720
where:
bonds (distance) C4'-P energy: -59.439
bonds (distance) P-C4' energy: -55.301
flat angles C4'-P-C4' energy: -67.965
flat angles P-C4'-P energy: -28.276
tors. eta vs tors. theta energy: -74.862
Dist. restrs. and SS energy: 9.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -919.831663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.831663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.086066 (E_RNA)
where:
Base-Base interactions energy: -662.775
where: short stacking energy: -260.486
Base-Backbone interact. energy: -1.901
local terms energy: -258.410270
where:
bonds (distance) C4'-P energy: -51.489
bonds (distance) P-C4' energy: -62.136
flat angles C4'-P-C4' energy: -60.101
flat angles P-C4'-P energy: -30.363
tors. eta vs tors. theta energy: -54.322
Dist. restrs. and SS energy: 3.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -793.877604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.877604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.960494 (E_RNA)
where:
Base-Base interactions energy: -564.246
where: short stacking energy: -210.057
Base-Backbone interact. energy: -0.699
local terms energy: -238.016038
where:
bonds (distance) C4'-P energy: -54.050
bonds (distance) P-C4' energy: -61.310
flat angles C4'-P-C4' energy: -45.819
flat angles P-C4'-P energy: -36.399
tors. eta vs tors. theta energy: -40.438
Dist. restrs. and SS energy: 9.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -855.576894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.576894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.012049 (E_RNA)
where:
Base-Base interactions energy: -623.644
where: short stacking energy: -249.261
Base-Backbone interact. energy: 0.350
local terms energy: -247.718333
where:
bonds (distance) C4'-P energy: -45.598
bonds (distance) P-C4' energy: -54.379
flat angles C4'-P-C4' energy: -58.477
flat angles P-C4'-P energy: -35.472
tors. eta vs tors. theta energy: -53.791
Dist. restrs. and SS energy: 15.435 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -1193.050352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.050352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.038482 (E_RNA)
where:
Base-Base interactions energy: -844.860
where: short stacking energy: -336.761
Base-Backbone interact. energy: -3.381
local terms energy: -348.797185
where:
bonds (distance) C4'-P energy: -70.384
bonds (distance) P-C4' energy: -61.810
flat angles C4'-P-C4' energy: -68.854
flat angles P-C4'-P energy: -49.201
tors. eta vs tors. theta energy: -98.549
Dist. restrs. and SS energy: 3.988 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -1191.668508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.668508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.447994 (E_RNA)
where:
Base-Base interactions energy: -838.601
where: short stacking energy: -339.479
Base-Backbone interact. energy: -2.637
local terms energy: -353.210038
where:
bonds (distance) C4'-P energy: -60.225
bonds (distance) P-C4' energy: -66.266
flat angles C4'-P-C4' energy: -73.359
flat angles P-C4'-P energy: -58.461
tors. eta vs tors. theta energy: -94.899
Dist. restrs. and SS energy: 2.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -1128.488695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.488695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.747512 (E_RNA)
where:
Base-Base interactions energy: -814.771
where: short stacking energy: -307.695
Base-Backbone interact. energy: 2.411
local terms energy: -319.387448
where:
bonds (distance) C4'-P energy: -57.218
bonds (distance) P-C4' energy: -71.384
flat angles C4'-P-C4' energy: -64.718
flat angles P-C4'-P energy: -41.741
tors. eta vs tors. theta energy: -84.326
Dist. restrs. and SS energy: 3.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -1066.752368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.752368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.108313 (E_RNA)
where:
Base-Base interactions energy: -762.290
where: short stacking energy: -284.413
Base-Backbone interact. energy: -4.455
local terms energy: -303.363449
where:
bonds (distance) C4'-P energy: -61.832
bonds (distance) P-C4' energy: -66.626
flat angles C4'-P-C4' energy: -62.630
flat angles P-C4'-P energy: -40.175
tors. eta vs tors. theta energy: -72.100
Dist. restrs. and SS energy: 3.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -1044.151528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.151528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.321117 (E_RNA)
where:
Base-Base interactions energy: -733.719
where: short stacking energy: -297.269
Base-Backbone interact. energy: -2.365
local terms energy: -312.236730
where:
bonds (distance) C4'-P energy: -54.128
bonds (distance) P-C4' energy: -58.605
flat angles C4'-P-C4' energy: -72.258
flat angles P-C4'-P energy: -46.453
tors. eta vs tors. theta energy: -80.793
Dist. restrs. and SS energy: 4.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -1029.994059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.994059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.548477 (E_RNA)
where:
Base-Base interactions energy: -712.881
where: short stacking energy: -296.993
Base-Backbone interact. energy: -1.185
local terms energy: -319.482221
where:
bonds (distance) C4'-P energy: -54.507
bonds (distance) P-C4' energy: -68.327
flat angles C4'-P-C4' energy: -66.707
flat angles P-C4'-P energy: -47.308
tors. eta vs tors. theta energy: -82.634
Dist. restrs. and SS energy: 3.554 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -960.525805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.525805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.162870 (E_RNA)
where:
Base-Base interactions energy: -665.120
where: short stacking energy: -253.094
Base-Backbone interact. energy: -0.902
local terms energy: -298.140845
where:
bonds (distance) C4'-P energy: -56.576
bonds (distance) P-C4' energy: -58.138
flat angles C4'-P-C4' energy: -64.190
flat angles P-C4'-P energy: -53.833
tors. eta vs tors. theta energy: -65.405
Dist. restrs. and SS energy: 3.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -910.807771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.807771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.740907 (E_RNA)
where:
Base-Base interactions energy: -660.978
where: short stacking energy: -251.209
Base-Backbone interact. energy: 0.142
local terms energy: -259.904966
where:
bonds (distance) C4'-P energy: -47.386
bonds (distance) P-C4' energy: -54.690
flat angles C4'-P-C4' energy: -62.669
flat angles P-C4'-P energy: -30.466
tors. eta vs tors. theta energy: -64.695
Dist. restrs. and SS energy: 9.933 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -892.359595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.359595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.631437 (E_RNA)
where:
Base-Base interactions energy: -631.367
where: short stacking energy: -250.761
Base-Backbone interact. energy: 0.427
local terms energy: -267.690872
where:
bonds (distance) C4'-P energy: -43.438
bonds (distance) P-C4' energy: -55.162
flat angles C4'-P-C4' energy: -66.811
flat angles P-C4'-P energy: -36.419
tors. eta vs tors. theta energy: -65.861
Dist. restrs. and SS energy: 6.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -779.486742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.486742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.585547 (E_RNA)
where:
Base-Base interactions energy: -531.485
where: short stacking energy: -207.303
Base-Backbone interact. energy: -2.984
local terms energy: -259.116485
where:
bonds (distance) C4'-P energy: -64.003
bonds (distance) P-C4' energy: -54.053
flat angles C4'-P-C4' energy: -66.746
flat angles P-C4'-P energy: -34.926
tors. eta vs tors. theta energy: -39.388
Dist. restrs. and SS energy: 14.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -1176.401317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.401317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.666754 (E_RNA)
where:
Base-Base interactions energy: -833.330
where: short stacking energy: -335.038
Base-Backbone interact. energy: -1.114
local terms energy: -345.221993
where:
bonds (distance) C4'-P energy: -71.546
bonds (distance) P-C4' energy: -62.755
flat angles C4'-P-C4' energy: -78.253
flat angles P-C4'-P energy: -45.080
tors. eta vs tors. theta energy: -87.588
Dist. restrs. and SS energy: 3.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -1198.091512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.091512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.910902 (E_RNA)
where:
Base-Base interactions energy: -849.137
where: short stacking energy: -346.935
Base-Backbone interact. energy: -4.655
local terms energy: -347.118311
where:
bonds (distance) C4'-P energy: -63.084
bonds (distance) P-C4' energy: -64.801
flat angles C4'-P-C4' energy: -61.519
flat angles P-C4'-P energy: -55.983
tors. eta vs tors. theta energy: -101.731
Dist. restrs. and SS energy: 2.819 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -1145.321351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.321351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.763134 (E_RNA)
where:
Base-Base interactions energy: -800.028
where: short stacking energy: -308.889
Base-Backbone interact. energy: -0.528
local terms energy: -348.206831
where:
bonds (distance) C4'-P energy: -74.327
bonds (distance) P-C4' energy: -63.186
flat angles C4'-P-C4' energy: -69.673
flat angles P-C4'-P energy: -47.811
tors. eta vs tors. theta energy: -93.209
Dist. restrs. and SS energy: 3.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -1090.476860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.476860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.531835 (E_RNA)
where:
Base-Base interactions energy: -747.212
where: short stacking energy: -305.009
Base-Backbone interact. energy: -3.222
local terms energy: -343.097771
where:
bonds (distance) C4'-P energy: -71.460
bonds (distance) P-C4' energy: -67.311
flat angles C4'-P-C4' energy: -66.860
flat angles P-C4'-P energy: -55.202
tors. eta vs tors. theta energy: -82.265
Dist. restrs. and SS energy: 3.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -1041.747828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.747828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.400347 (E_RNA)
where:
Base-Base interactions energy: -714.600
where: short stacking energy: -291.215
Base-Backbone interact. energy: -0.320
local terms energy: -330.480768
where:
bonds (distance) C4'-P energy: -59.308
bonds (distance) P-C4' energy: -61.458
flat angles C4'-P-C4' energy: -73.853
flat angles P-C4'-P energy: -55.808
tors. eta vs tors. theta energy: -80.054
Dist. restrs. and SS energy: 3.653 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -1030.843978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.843978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.425537 (E_RNA)
where:
Base-Base interactions energy: -723.269
where: short stacking energy: -285.385
Base-Backbone interact. energy: -1.410
local terms energy: -309.746575
where:
bonds (distance) C4'-P energy: -57.338
bonds (distance) P-C4' energy: -56.431
flat angles C4'-P-C4' energy: -68.254
flat angles P-C4'-P energy: -53.975
tors. eta vs tors. theta energy: -73.749
Dist. restrs. and SS energy: 3.582 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -957.166123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.166123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.505854 (E_RNA)
where:
Base-Base interactions energy: -658.932
where: short stacking energy: -257.096
Base-Backbone interact. energy: 2.948
local terms energy: -306.521765
where:
bonds (distance) C4'-P energy: -55.831
bonds (distance) P-C4' energy: -65.476
flat angles C4'-P-C4' energy: -64.762
flat angles P-C4'-P energy: -49.981
tors. eta vs tors. theta energy: -70.473
Dist. restrs. and SS energy: 5.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -931.291458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.291458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.202756 (E_RNA)
where:
Base-Base interactions energy: -664.308
where: short stacking energy: -248.517
Base-Backbone interact. energy: 0.949
local terms energy: -274.844030
where:
bonds (distance) C4'-P energy: -49.953
bonds (distance) P-C4' energy: -60.876
flat angles C4'-P-C4' energy: -60.925
flat angles P-C4'-P energy: -44.700
tors. eta vs tors. theta energy: -58.391
Dist. restrs. and SS energy: 6.911 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -910.472766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.472766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.453954 (E_RNA)
where:
Base-Base interactions energy: -639.013
where: short stacking energy: -243.020
Base-Backbone interact. energy: -0.155
local terms energy: -277.285757
where:
bonds (distance) C4'-P energy: -56.909
bonds (distance) P-C4' energy: -58.337
flat angles C4'-P-C4' energy: -68.006
flat angles P-C4'-P energy: -33.097
tors. eta vs tors. theta energy: -60.936
Dist. restrs. and SS energy: 5.981 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -804.665722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.665722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.374481 (E_RNA)
where:
Base-Base interactions energy: -574.294
where: short stacking energy: -228.454
Base-Backbone interact. energy: 1.638
local terms energy: -241.719069
where:
bonds (distance) C4'-P energy: -40.862
bonds (distance) P-C4' energy: -57.455
flat angles C4'-P-C4' energy: -59.876
flat angles P-C4'-P energy: -31.964
tors. eta vs tors. theta energy: -51.562
Dist. restrs. and SS energy: 9.709 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -1240.363044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.363044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.944058 (E_RNA)
where:
Base-Base interactions energy: -877.040
where: short stacking energy: -350.958
Base-Backbone interact. energy: 1.697
local terms energy: -367.600637
where:
bonds (distance) C4'-P energy: -61.801
bonds (distance) P-C4' energy: -75.305
flat angles C4'-P-C4' energy: -75.922
flat angles P-C4'-P energy: -48.017
tors. eta vs tors. theta energy: -106.556
Dist. restrs. and SS energy: 2.581 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -1174.860922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.860922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.916206 (E_RNA)
where:
Base-Base interactions energy: -814.184
where: short stacking energy: -337.550
Base-Backbone interact. energy: -4.503
local terms energy: -360.228396
where:
bonds (distance) C4'-P energy: -67.087
bonds (distance) P-C4' energy: -70.188
flat angles C4'-P-C4' energy: -74.583
flat angles P-C4'-P energy: -57.423
tors. eta vs tors. theta energy: -90.948
Dist. restrs. and SS energy: 4.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -1133.823606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.823606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.271393 (E_RNA)
where:
Base-Base interactions energy: -793.524
where: short stacking energy: -312.348
Base-Backbone interact. energy: -1.954
local terms energy: -341.793913
where:
bonds (distance) C4'-P energy: -69.274
bonds (distance) P-C4' energy: -73.664
flat angles C4'-P-C4' energy: -72.110
flat angles P-C4'-P energy: -40.062
tors. eta vs tors. theta energy: -86.683
Dist. restrs. and SS energy: 3.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -1100.338306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.338306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.127346 (E_RNA)
where:
Base-Base interactions energy: -752.454
where: short stacking energy: -312.354
Base-Backbone interact. energy: -0.687
local terms energy: -351.986105
where:
bonds (distance) C4'-P energy: -67.859
bonds (distance) P-C4' energy: -67.235
flat angles C4'-P-C4' energy: -75.970
flat angles P-C4'-P energy: -53.472
tors. eta vs tors. theta energy: -87.451
Dist. restrs. and SS energy: 4.789 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -1012.382864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.382864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.933649 (E_RNA)
where:
Base-Base interactions energy: -696.433
where: short stacking energy: -277.622
Base-Backbone interact. energy: -0.774
local terms energy: -320.726168
where:
bonds (distance) C4'-P energy: -60.076
bonds (distance) P-C4' energy: -57.963
flat angles C4'-P-C4' energy: -71.786
flat angles P-C4'-P energy: -52.963
tors. eta vs tors. theta energy: -77.938
Dist. restrs. and SS energy: 5.551 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -1009.693937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.693937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.480756 (E_RNA)
where:
Base-Base interactions energy: -694.938
where: short stacking energy: -275.875
Base-Backbone interact. energy: -1.232
local terms energy: -318.310797
where:
bonds (distance) C4'-P energy: -62.013
bonds (distance) P-C4' energy: -70.225
flat angles C4'-P-C4' energy: -67.002
flat angles P-C4'-P energy: -41.486
tors. eta vs tors. theta energy: -77.584
Dist. restrs. and SS energy: 4.787 (S_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: 70
Temperature: 1.200000
Total energy: -958.340948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.340948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.989560 (E_RNA)
where:
Base-Base interactions energy: -671.263
where: short stacking energy: -272.012
Base-Backbone interact. energy: -1.339
local terms energy: -289.387866
where:
bonds (distance) C4'-P energy: -54.755
bonds (distance) P-C4' energy: -59.408
flat angles C4'-P-C4' energy: -57.315
flat angles P-C4'-P energy: -48.399
tors. eta vs tors. theta energy: -69.511
Dist. restrs. and SS energy: 3.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -955.934941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.934941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.013439 (E_RNA)
where:
Base-Base interactions energy: -683.331
where: short stacking energy: -261.830
Base-Backbone interact. energy: -0.030
local terms energy: -278.651791
where:
bonds (distance) C4'-P energy: -57.954
bonds (distance) P-C4' energy: -59.043
flat angles C4'-P-C4' energy: -51.944
flat angles P-C4'-P energy: -47.415
tors. eta vs tors. theta energy: -62.296
Dist. restrs. and SS energy: 6.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -896.532547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.532547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.095110 (E_RNA)
where:
Base-Base interactions energy: -648.686
where: short stacking energy: -258.460
Base-Backbone interact. energy: -1.370
local terms energy: -253.039278
where:
bonds (distance) C4'-P energy: -43.993
bonds (distance) P-C4' energy: -55.915
flat angles C4'-P-C4' energy: -57.901
flat angles P-C4'-P energy: -36.680
tors. eta vs tors. theta energy: -58.550
Dist. restrs. and SS energy: 6.563 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -810.527909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.527909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.465650 (E_RNA)
where:
Base-Base interactions energy: -558.706
where: short stacking energy: -215.518
Base-Backbone interact. energy: -0.537
local terms energy: -259.222758
where:
bonds (distance) C4'-P energy: -53.824
bonds (distance) P-C4' energy: -55.750
flat angles C4'-P-C4' energy: -61.159
flat angles P-C4'-P energy: -29.909
tors. eta vs tors. theta energy: -58.580
Dist. restrs. and SS energy: 7.938 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -1207.089395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.089395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.999969 (E_RNA)
where:
Base-Base interactions energy: -837.819
where: short stacking energy: -346.833
Base-Backbone interact. energy: -2.318
local terms energy: -370.863602
where:
bonds (distance) C4'-P energy: -69.273
bonds (distance) P-C4' energy: -76.677
flat angles C4'-P-C4' energy: -73.694
flat angles P-C4'-P energy: -57.954
tors. eta vs tors. theta energy: -93.266
Dist. restrs. and SS energy: 3.911 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -1154.708714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.708714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.756955 (E_RNA)
where:
Base-Base interactions energy: -810.005
where: short stacking energy: -319.189
Base-Backbone interact. energy: -1.492
local terms energy: -346.259421
where:
bonds (distance) C4'-P energy: -58.106
bonds (distance) P-C4' energy: -56.294
flat angles C4'-P-C4' energy: -80.270
flat angles P-C4'-P energy: -53.398
tors. eta vs tors. theta energy: -98.192
Dist. restrs. and SS energy: 3.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -1155.727035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.727035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.806163 (E_RNA)
where:
Base-Base interactions energy: -821.960
where: short stacking energy: -345.675
Base-Backbone interact. energy: 5.592
local terms energy: -343.438979
where:
bonds (distance) C4'-P energy: -65.518
bonds (distance) P-C4' energy: -56.288
flat angles C4'-P-C4' energy: -80.587
flat angles P-C4'-P energy: -43.860
tors. eta vs tors. theta energy: -97.186
Dist. restrs. and SS energy: 4.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -1065.179402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.179402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.403242 (E_RNA)
where:
Base-Base interactions energy: -745.304
where: short stacking energy: -300.360
Base-Backbone interact. energy: -1.577
local terms energy: -322.522058
where:
bonds (distance) C4'-P energy: -54.693
bonds (distance) P-C4' energy: -67.146
flat angles C4'-P-C4' energy: -72.871
flat angles P-C4'-P energy: -42.240
tors. eta vs tors. theta energy: -85.571
Dist. restrs. and SS energy: 4.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -1004.111917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.111917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.067848 (E_RNA)
where:
Base-Base interactions energy: -706.298
where: short stacking energy: -275.246
Base-Backbone interact. energy: -1.569
local terms energy: -300.200302
where:
bonds (distance) C4'-P energy: -52.864
bonds (distance) P-C4' energy: -58.931
flat angles C4'-P-C4' energy: -71.431
flat angles P-C4'-P energy: -43.920
tors. eta vs tors. theta energy: -73.054
Dist. restrs. and SS energy: 3.956 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -979.393042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.393042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.882903 (E_RNA)
where:
Base-Base interactions energy: -689.100
where: short stacking energy: -265.810
Base-Backbone interact. energy: -0.737
local terms energy: -293.045719
where:
bonds (distance) C4'-P energy: -42.994
bonds (distance) P-C4' energy: -59.107
flat angles C4'-P-C4' energy: -66.711
flat angles P-C4'-P energy: -50.725
tors. eta vs tors. theta energy: -73.509
Dist. restrs. and SS energy: 3.490 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -960.533182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.533182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.327395 (E_RNA)
where:
Base-Base interactions energy: -674.343
where: short stacking energy: -263.619
Base-Backbone interact. energy: 0.731
local terms energy: -290.715436
where:
bonds (distance) C4'-P energy: -61.373
bonds (distance) P-C4' energy: -57.814
flat angles C4'-P-C4' energy: -68.240
flat angles P-C4'-P energy: -38.130
tors. eta vs tors. theta energy: -65.158
Dist. restrs. and SS energy: 3.794 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -929.718387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.718387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.272645 (E_RNA)
where:
Base-Base interactions energy: -655.715
where: short stacking energy: -254.683
Base-Backbone interact. energy: -0.385
local terms energy: -278.172654
where:
bonds (distance) C4'-P energy: -40.547
bonds (distance) P-C4' energy: -60.331
flat angles C4'-P-C4' energy: -68.195
flat angles P-C4'-P energy: -38.920
tors. eta vs tors. theta energy: -70.179
Dist. restrs. and SS energy: 4.554 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -884.313734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.313734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.591869 (E_RNA)
where:
Base-Base interactions energy: -635.885
where: short stacking energy: -230.879
Base-Backbone interact. energy: -1.558
local terms energy: -254.148768
where:
bonds (distance) C4'-P energy: -53.761
bonds (distance) P-C4' energy: -52.728
flat angles C4'-P-C4' energy: -53.296
flat angles P-C4'-P energy: -36.600
tors. eta vs tors. theta energy: -57.764
Dist. restrs. and SS energy: 7.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -799.093795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.093795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.848283 (E_RNA)
where:
Base-Base interactions energy: -558.639
where: short stacking energy: -200.854
Base-Backbone interact. energy: 2.460
local terms energy: -251.669089
where:
bonds (distance) C4'-P energy: -42.851
bonds (distance) P-C4' energy: -61.379
flat angles C4'-P-C4' energy: -61.288
flat angles P-C4'-P energy: -36.254
tors. eta vs tors. theta energy: -49.898
Dist. restrs. and SS energy: 8.754 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -1222.387727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.387727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.674369 (E_RNA)
where:
Base-Base interactions energy: -843.253
where: short stacking energy: -330.044
Base-Backbone interact. energy: -2.716
local terms energy: -379.706123
where:
bonds (distance) C4'-P energy: -71.569
bonds (distance) P-C4' energy: -72.119
flat angles C4'-P-C4' energy: -78.521
flat angles P-C4'-P energy: -59.541
tors. eta vs tors. theta energy: -97.956
Dist. restrs. and SS energy: 3.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -1210.590087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.590087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.639974 (E_RNA)
where:
Base-Base interactions energy: -834.850
where: short stacking energy: -339.763
Base-Backbone interact. energy: -2.678
local terms energy: -377.112234
where:
bonds (distance) C4'-P energy: -71.619
bonds (distance) P-C4' energy: -75.287
flat angles C4'-P-C4' energy: -72.058
flat angles P-C4'-P energy: -56.626
tors. eta vs tors. theta energy: -101.522
Dist. restrs. and SS energy: 4.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -1130.448147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.448147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.460298 (E_RNA)
where:
Base-Base interactions energy: -787.249
where: short stacking energy: -322.022
Base-Backbone interact. energy: -0.685
local terms energy: -345.526201
where:
bonds (distance) C4'-P energy: -54.798
bonds (distance) P-C4' energy: -72.072
flat angles C4'-P-C4' energy: -75.431
flat angles P-C4'-P energy: -44.961
tors. eta vs tors. theta energy: -98.264
Dist. restrs. and SS energy: 3.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -1056.338392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.338392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.168762 (E_RNA)
where:
Base-Base interactions energy: -742.154
where: short stacking energy: -297.416
Base-Backbone interact. energy: -1.451
local terms energy: -315.563739
where:
bonds (distance) C4'-P energy: -62.744
bonds (distance) P-C4' energy: -56.826
flat angles C4'-P-C4' energy: -72.482
flat angles P-C4'-P energy: -38.968
tors. eta vs tors. theta energy: -84.543
Dist. restrs. and SS energy: 2.830 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -1013.985816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.985816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.773667 (E_RNA)
where:
Base-Base interactions energy: -707.283
where: short stacking energy: -279.071
Base-Backbone interact. energy: -0.960
local terms energy: -309.531183
where:
bonds (distance) C4'-P energy: -53.774
bonds (distance) P-C4' energy: -60.848
flat angles C4'-P-C4' energy: -65.224
flat angles P-C4'-P energy: -50.447
tors. eta vs tors. theta energy: -79.238
Dist. restrs. and SS energy: 3.788 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -1038.726365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.726365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.239718 (E_RNA)
where:
Base-Base interactions energy: -732.344
where: short stacking energy: -281.078
Base-Backbone interact. energy: -2.005
local terms energy: -308.889986
where:
bonds (distance) C4'-P energy: -53.350
bonds (distance) P-C4' energy: -66.521
flat angles C4'-P-C4' energy: -63.895
flat angles P-C4'-P energy: -50.427
tors. eta vs tors. theta energy: -74.697
Dist. restrs. and SS energy: 4.513 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -946.641288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.641288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.154026 (E_RNA)
where:
Base-Base interactions energy: -648.965
where: short stacking energy: -268.521
Base-Backbone interact. energy: -3.681
local terms energy: -298.508460
where:
bonds (distance) C4'-P energy: -58.996
bonds (distance) P-C4' energy: -50.577
flat angles C4'-P-C4' energy: -68.483
flat angles P-C4'-P energy: -40.162
tors. eta vs tors. theta energy: -80.290
Dist. restrs. and SS energy: 4.513 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -933.330437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.330437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.318556 (E_RNA)
where:
Base-Base interactions energy: -675.088
where: short stacking energy: -267.353
Base-Backbone interact. energy: -0.864
local terms energy: -267.366389
where:
bonds (distance) C4'-P energy: -43.813
bonds (distance) P-C4' energy: -53.651
flat angles C4'-P-C4' energy: -61.018
flat angles P-C4'-P energy: -39.540
tors. eta vs tors. theta energy: -69.343
Dist. restrs. and SS energy: 9.988 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -871.526649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.526649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.911387 (E_RNA)
where:
Base-Base interactions energy: -643.363
where: short stacking energy: -242.266
Base-Backbone interact. energy: -0.991
local terms energy: -231.556880
where:
bonds (distance) C4'-P energy: -46.596
bonds (distance) P-C4' energy: -48.173
flat angles C4'-P-C4' energy: -54.661
flat angles P-C4'-P energy: -33.725
tors. eta vs tors. theta energy: -48.402
Dist. restrs. and SS energy: 4.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -782.913869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.913869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.518701 (E_RNA)
where:
Base-Base interactions energy: -534.893
where: short stacking energy: -194.920
Base-Backbone interact. energy: -2.571
local terms energy: -258.054552
where:
bonds (distance) C4'-P energy: -58.099
bonds (distance) P-C4' energy: -57.907
flat angles C4'-P-C4' energy: -54.641
flat angles P-C4'-P energy: -37.828
tors. eta vs tors. theta energy: -49.579
Dist. restrs. and SS energy: 12.605 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -1208.506859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.506859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.603333 (E_RNA)
where:
Base-Base interactions energy: -854.003
where: short stacking energy: -333.416
Base-Backbone interact. energy: -1.881
local terms energy: -355.719143
where:
bonds (distance) C4'-P energy: -61.745
bonds (distance) P-C4' energy: -70.489
flat angles C4'-P-C4' energy: -80.150
flat angles P-C4'-P energy: -44.698
tors. eta vs tors. theta energy: -98.637
Dist. restrs. and SS energy: 3.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -1186.502719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.502719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.215574 (E_RNA)
where:
Base-Base interactions energy: -836.690
where: short stacking energy: -343.586
Base-Backbone interact. energy: -1.125
local terms energy: -353.400029
where:
bonds (distance) C4'-P energy: -65.232
bonds (distance) P-C4' energy: -61.915
flat angles C4'-P-C4' energy: -74.239
flat angles P-C4'-P energy: -52.453
tors. eta vs tors. theta energy: -99.561
Dist. restrs. and SS energy: 4.713 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -1108.012695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.012695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.902074 (E_RNA)
where:
Base-Base interactions energy: -766.618
where: short stacking energy: -319.837
Base-Backbone interact. energy: -1.035
local terms energy: -344.248967
where:
bonds (distance) C4'-P energy: -62.365
bonds (distance) P-C4' energy: -60.530
flat angles C4'-P-C4' energy: -76.559
flat angles P-C4'-P energy: -59.586
tors. eta vs tors. theta energy: -85.209
Dist. restrs. and SS energy: 3.889 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -1088.421111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.421111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.081107 (E_RNA)
where:
Base-Base interactions energy: -756.618
where: short stacking energy: -291.564
Base-Backbone interact. energy: -2.113
local terms energy: -332.349704
where:
bonds (distance) C4'-P energy: -63.358
bonds (distance) P-C4' energy: -65.122
flat angles C4'-P-C4' energy: -77.793
flat angles P-C4'-P energy: -46.343
tors. eta vs tors. theta energy: -79.733
Dist. restrs. and SS energy: 2.660 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -1027.030738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.030738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.836164 (E_RNA)
where:
Base-Base interactions energy: -724.035
where: short stacking energy: -285.939
Base-Backbone interact. energy: -0.374
local terms energy: -305.427526
where:
bonds (distance) C4'-P energy: -53.716
bonds (distance) P-C4' energy: -54.874
flat angles C4'-P-C4' energy: -66.559
flat angles P-C4'-P energy: -55.064
tors. eta vs tors. theta energy: -75.214
Dist. restrs. and SS energy: 2.805 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -992.865848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.865848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.262375 (E_RNA)
where:
Base-Base interactions energy: -686.992
where: short stacking energy: -270.052
Base-Backbone interact. energy: 1.580
local terms energy: -310.850505
where:
bonds (distance) C4'-P energy: -61.521
bonds (distance) P-C4' energy: -69.379
flat angles C4'-P-C4' energy: -66.542
flat angles P-C4'-P energy: -49.268
tors. eta vs tors. theta energy: -64.140
Dist. restrs. and SS energy: 3.397 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -967.102915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.102915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.174798 (E_RNA)
where:
Base-Base interactions energy: -685.541
where: short stacking energy: -268.913
Base-Backbone interact. energy: -0.794
local terms energy: -284.839107
where:
bonds (distance) C4'-P energy: -56.824
bonds (distance) P-C4' energy: -65.444
flat angles C4'-P-C4' energy: -60.353
flat angles P-C4'-P energy: -32.132
tors. eta vs tors. theta energy: -70.087
Dist. restrs. and SS energy: 4.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -891.797690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.797690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.156983 (E_RNA)
where:
Base-Base interactions energy: -627.587
where: short stacking energy: -233.053
Base-Backbone interact. energy: -1.698
local terms energy: -265.872128
where:
bonds (distance) C4'-P energy: -58.319
bonds (distance) P-C4' energy: -64.866
flat angles C4'-P-C4' energy: -51.317
flat angles P-C4'-P energy: -33.985
tors. eta vs tors. theta energy: -57.385
Dist. restrs. and SS energy: 3.359 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -919.924772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.924772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.147577 (E_RNA)
where:
Base-Base interactions energy: -661.068
where: short stacking energy: -252.820
Base-Backbone interact. energy: -0.140
local terms energy: -262.938890
where:
bonds (distance) C4'-P energy: -46.979
bonds (distance) P-C4' energy: -42.712
flat angles C4'-P-C4' energy: -74.859
flat angles P-C4'-P energy: -40.390
tors. eta vs tors. theta energy: -57.999
Dist. restrs. and SS energy: 4.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -816.138400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.138400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.646096 (E_RNA)
where:
Base-Base interactions energy: -559.727
where: short stacking energy: -223.413
Base-Backbone interact. energy: -1.328
local terms energy: -260.591612
where:
bonds (distance) C4'-P energy: -51.916
bonds (distance) P-C4' energy: -55.612
flat angles C4'-P-C4' energy: -59.099
flat angles P-C4'-P energy: -32.596
tors. eta vs tors. theta energy: -61.368
Dist. restrs. and SS energy: 5.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -1202.123846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.123846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.104440 (E_RNA)
where:
Base-Base interactions energy: -851.581
where: short stacking energy: -322.675
Base-Backbone interact. energy: -1.233
local terms energy: -353.290726
where:
bonds (distance) C4'-P energy: -46.097
bonds (distance) P-C4' energy: -74.150
flat angles C4'-P-C4' energy: -76.015
flat angles P-C4'-P energy: -62.577
tors. eta vs tors. theta energy: -94.452
Dist. restrs. and SS energy: 3.981 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -1167.841254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.841254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.211717 (E_RNA)
where:
Base-Base interactions energy: -799.865
where: short stacking energy: -316.526
Base-Backbone interact. energy: -2.722
local terms energy: -369.624433
where:
bonds (distance) C4'-P energy: -69.805
bonds (distance) P-C4' energy: -75.264
flat angles C4'-P-C4' energy: -74.811
flat angles P-C4'-P energy: -58.103
tors. eta vs tors. theta energy: -91.641
Dist. restrs. and SS energy: 4.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -1128.777283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.777283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.775244 (E_RNA)
where:
Base-Base interactions energy: -781.375
where: short stacking energy: -323.035
Base-Backbone interact. energy: -1.836
local terms energy: -349.565063
where:
bonds (distance) C4'-P energy: -67.500
bonds (distance) P-C4' energy: -65.165
flat angles C4'-P-C4' energy: -65.586
flat angles P-C4'-P energy: -56.118
tors. eta vs tors. theta energy: -95.196
Dist. restrs. and SS energy: 3.998 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -1108.967381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.967381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.824263 (E_RNA)
where:
Base-Base interactions energy: -793.641
where: short stacking energy: -334.777
Base-Backbone interact. energy: -0.779
local terms energy: -318.404030
where:
bonds (distance) C4'-P energy: -57.914
bonds (distance) P-C4' energy: -52.828
flat angles C4'-P-C4' energy: -76.020
flat angles P-C4'-P energy: -43.393
tors. eta vs tors. theta energy: -88.248
Dist. restrs. and SS energy: 3.857 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -1037.536638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.536638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.566113 (E_RNA)
where:
Base-Base interactions energy: -718.977
where: short stacking energy: -297.175
Base-Backbone interact. energy: -1.353
local terms energy: -320.235457
where:
bonds (distance) C4'-P energy: -64.418
bonds (distance) P-C4' energy: -68.106
flat angles C4'-P-C4' energy: -77.211
flat angles P-C4'-P energy: -36.812
tors. eta vs tors. theta energy: -73.688
Dist. restrs. and SS energy: 3.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -991.246962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.246962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.039289 (E_RNA)
where:
Base-Base interactions energy: -714.673
where: short stacking energy: -283.731
Base-Backbone interact. energy: 1.894
local terms energy: -281.260006
where:
bonds (distance) C4'-P energy: -59.095
bonds (distance) P-C4' energy: -53.904
flat angles C4'-P-C4' energy: -63.051
flat angles P-C4'-P energy: -34.966
tors. eta vs tors. theta energy: -70.244
Dist. restrs. and SS energy: 2.792 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -950.060755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.060755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.349403 (E_RNA)
where:
Base-Base interactions energy: -657.023
where: short stacking energy: -278.910
Base-Backbone interact. energy: -1.511
local terms energy: -294.815153
where:
bonds (distance) C4'-P energy: -48.900
bonds (distance) P-C4' energy: -65.339
flat angles C4'-P-C4' energy: -57.944
flat angles P-C4'-P energy: -43.595
tors. eta vs tors. theta energy: -79.036
Dist. restrs. and SS energy: 3.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -934.432978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.432978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.087835 (E_RNA)
where:
Base-Base interactions energy: -651.223
where: short stacking energy: -264.659
Base-Backbone interact. energy: -0.765
local terms energy: -287.099907
where:
bonds (distance) C4'-P energy: -47.153
bonds (distance) P-C4' energy: -62.015
flat angles C4'-P-C4' energy: -59.424
flat angles P-C4'-P energy: -43.722
tors. eta vs tors. theta energy: -74.787
Dist. restrs. and SS energy: 4.655 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -888.584181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.584181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.485729 (E_RNA)
where:
Base-Base interactions energy: -612.406
where: short stacking energy: -235.286
Base-Backbone interact. energy: -0.827
local terms energy: -284.252837
where:
bonds (distance) C4'-P energy: -63.852
bonds (distance) P-C4' energy: -57.780
flat angles C4'-P-C4' energy: -69.446
flat angles P-C4'-P energy: -40.663
tors. eta vs tors. theta energy: -52.512
Dist. restrs. and SS energy: 8.902 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -791.375947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.375947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.516697 (E_RNA)
where:
Base-Base interactions energy: -552.682
where: short stacking energy: -206.776
Base-Backbone interact. energy: 0.914
local terms energy: -248.748097
where:
bonds (distance) C4'-P energy: -56.500
bonds (distance) P-C4' energy: -49.686
flat angles C4'-P-C4' energy: -61.340
flat angles P-C4'-P energy: -40.834
tors. eta vs tors. theta energy: -40.388
Dist. restrs. and SS energy: 9.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -1200.199288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.199288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.142913 (E_RNA)
where:
Base-Base interactions energy: -834.134
where: short stacking energy: -329.638
Base-Backbone interact. energy: -1.632
local terms energy: -367.376927
where:
bonds (distance) C4'-P energy: -67.934
bonds (distance) P-C4' energy: -67.918
flat angles C4'-P-C4' energy: -77.798
flat angles P-C4'-P energy: -54.890
tors. eta vs tors. theta energy: -98.837
Dist. restrs. and SS energy: 2.944 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -1193.336654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.336654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.279412 (E_RNA)
where:
Base-Base interactions energy: -844.310
where: short stacking energy: -355.457
Base-Backbone interact. energy: 0.782
local terms energy: -352.750995
where:
bonds (distance) C4'-P energy: -58.549
bonds (distance) P-C4' energy: -63.501
flat angles C4'-P-C4' energy: -78.170
flat angles P-C4'-P energy: -50.443
tors. eta vs tors. theta energy: -102.088
Dist. restrs. and SS energy: 2.943 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -1129.674669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.674669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.463166 (E_RNA)
where:
Base-Base interactions energy: -767.547
where: short stacking energy: -319.313
Base-Backbone interact. energy: -3.617
local terms energy: -362.299632
where:
bonds (distance) C4'-P energy: -75.697
bonds (distance) P-C4' energy: -65.264
flat angles C4'-P-C4' energy: -68.560
flat angles P-C4'-P energy: -56.950
tors. eta vs tors. theta energy: -95.828
Dist. restrs. and SS energy: 3.788 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -1102.385881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.385881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.194042 (E_RNA)
where:
Base-Base interactions energy: -776.618
where: short stacking energy: -308.519
Base-Backbone interact. energy: -5.175
local terms energy: -325.400534
where:
bonds (distance) C4'-P energy: -66.872
bonds (distance) P-C4' energy: -64.067
flat angles C4'-P-C4' energy: -64.562
flat angles P-C4'-P energy: -47.113
tors. eta vs tors. theta energy: -82.787
Dist. restrs. and SS energy: 4.808 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -1033.804157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.804157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.229056 (E_RNA)
where:
Base-Base interactions energy: -701.721
where: short stacking energy: -292.700
Base-Backbone interact. energy: -2.686
local terms energy: -333.822303
where:
bonds (distance) C4'-P energy: -69.074
bonds (distance) P-C4' energy: -59.378
flat angles C4'-P-C4' energy: -72.425
flat angles P-C4'-P energy: -48.531
tors. eta vs tors. theta energy: -84.414
Dist. restrs. and SS energy: 4.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -984.705076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.705076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.537364 (E_RNA)
where:
Base-Base interactions energy: -696.042
where: short stacking energy: -290.870
Base-Backbone interact. energy: -2.169
local terms energy: -293.326359
where:
bonds (distance) C4'-P energy: -65.682
bonds (distance) P-C4' energy: -52.006
flat angles C4'-P-C4' energy: -59.835
flat angles P-C4'-P energy: -41.134
tors. eta vs tors. theta energy: -74.669
Dist. restrs. and SS energy: 6.832 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -964.510589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.510589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.789137 (E_RNA)
where:
Base-Base interactions energy: -667.809
where: short stacking energy: -271.967
Base-Backbone interact. energy: -1.383
local terms energy: -298.597115
where:
bonds (distance) C4'-P energy: -59.449
bonds (distance) P-C4' energy: -54.157
flat angles C4'-P-C4' energy: -64.763
flat angles P-C4'-P energy: -42.221
tors. eta vs tors. theta energy: -78.007
Dist. restrs. and SS energy: 3.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -912.433333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.433333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.838043 (E_RNA)
where:
Base-Base interactions energy: -648.951
where: short stacking energy: -245.589
Base-Backbone interact. energy: 0.259
local terms energy: -267.146696
where:
bonds (distance) C4'-P energy: -46.321
bonds (distance) P-C4' energy: -44.672
flat angles C4'-P-C4' energy: -70.296
flat angles P-C4'-P energy: -41.891
tors. eta vs tors. theta energy: -63.967
Dist. restrs. and SS energy: 3.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -873.212152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.212152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.873663 (E_RNA)
where:
Base-Base interactions energy: -630.499
where: short stacking energy: -244.824
Base-Backbone interact. energy: -1.500
local terms energy: -245.874123
where:
bonds (distance) C4'-P energy: -46.782
bonds (distance) P-C4' energy: -57.460
flat angles C4'-P-C4' energy: -60.351
flat angles P-C4'-P energy: -34.595
tors. eta vs tors. theta energy: -46.687
Dist. restrs. and SS energy: 4.662 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -805.420546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.420546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.661680 (E_RNA)
where:
Base-Base interactions energy: -546.845
where: short stacking energy: -211.783
Base-Backbone interact. energy: -0.993
local terms energy: -264.823820
where:
bonds (distance) C4'-P energy: -63.511
bonds (distance) P-C4' energy: -55.377
flat angles C4'-P-C4' energy: -49.315
flat angles P-C4'-P energy: -41.200
tors. eta vs tors. theta energy: -55.421
Dist. restrs. and SS energy: 7.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -1197.210209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.210209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.815684 (E_RNA)
where:
Base-Base interactions energy: -846.689
where: short stacking energy: -361.218
Base-Backbone interact. energy: -1.612
local terms energy: -351.514711
where:
bonds (distance) C4'-P energy: -55.200
bonds (distance) P-C4' energy: -63.996
flat angles C4'-P-C4' energy: -77.937
flat angles P-C4'-P energy: -52.206
tors. eta vs tors. theta energy: -102.176
Dist. restrs. and SS energy: 2.605 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -1156.907375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.907375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.345306 (E_RNA)
where:
Base-Base interactions energy: -814.306
where: short stacking energy: -326.027
Base-Backbone interact. energy: -1.611
local terms energy: -344.428508
where:
bonds (distance) C4'-P energy: -51.895
bonds (distance) P-C4' energy: -73.811
flat angles C4'-P-C4' energy: -76.215
flat angles P-C4'-P energy: -51.318
tors. eta vs tors. theta energy: -91.190
Dist. restrs. and SS energy: 3.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -1127.928431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.928431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.723202 (E_RNA)
where:
Base-Base interactions energy: -766.143
where: short stacking energy: -325.208
Base-Backbone interact. energy: -0.733
local terms energy: -363.846777
where:
bonds (distance) C4'-P energy: -76.623
bonds (distance) P-C4' energy: -61.089
flat angles C4'-P-C4' energy: -74.443
flat angles P-C4'-P energy: -51.847
tors. eta vs tors. theta energy: -99.844
Dist. restrs. and SS energy: 2.795 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -1060.626216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.626216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.059034 (E_RNA)
where:
Base-Base interactions energy: -754.265
where: short stacking energy: -295.125
Base-Backbone interact. energy: 0.864
local terms energy: -310.658146
where:
bonds (distance) C4'-P energy: -56.532
bonds (distance) P-C4' energy: -57.900
flat angles C4'-P-C4' energy: -69.848
flat angles P-C4'-P energy: -53.504
tors. eta vs tors. theta energy: -72.874
Dist. restrs. and SS energy: 3.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -1030.613974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.613974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.688083 (E_RNA)
where:
Base-Base interactions energy: -715.263
where: short stacking energy: -282.878
Base-Backbone interact. energy: 4.442
local terms energy: -322.866493
where:
bonds (distance) C4'-P energy: -76.592
bonds (distance) P-C4' energy: -55.268
flat angles C4'-P-C4' energy: -72.644
flat angles P-C4'-P energy: -35.661
tors. eta vs tors. theta energy: -82.701
Dist. restrs. and SS energy: 3.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -1008.190668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.190668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.824347 (E_RNA)
where:
Base-Base interactions energy: -711.108
where: short stacking energy: -301.466
Base-Backbone interact. energy: 0.519
local terms energy: -303.235324
where:
bonds (distance) C4'-P energy: -54.528
bonds (distance) P-C4' energy: -64.398
flat angles C4'-P-C4' energy: -64.173
flat angles P-C4'-P energy: -44.468
tors. eta vs tors. theta energy: -75.669
Dist. restrs. and SS energy: 5.634 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -953.029535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.029535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.560828 (E_RNA)
where:
Base-Base interactions energy: -665.626
where: short stacking energy: -253.701
Base-Backbone interact. energy: -0.283
local terms energy: -289.651306
where:
bonds (distance) C4'-P energy: -68.977
bonds (distance) P-C4' energy: -53.367
flat angles C4'-P-C4' energy: -63.988
flat angles P-C4'-P energy: -45.070
tors. eta vs tors. theta energy: -58.250
Dist. restrs. and SS energy: 2.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -906.599502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.599502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.156662 (E_RNA)
where:
Base-Base interactions energy: -653.735
where: short stacking energy: -243.419
Base-Backbone interact. energy: 3.912
local terms energy: -261.333692
where:
bonds (distance) C4'-P energy: -73.197
bonds (distance) P-C4' energy: -49.160
flat angles C4'-P-C4' energy: -60.615
flat angles P-C4'-P energy: -24.749
tors. eta vs tors. theta energy: -53.613
Dist. restrs. and SS energy: 4.557 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -881.989505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.989505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.813372 (E_RNA)
where:
Base-Base interactions energy: -642.180
where: short stacking energy: -242.596
Base-Backbone interact. energy: -2.336
local terms energy: -247.297481
where:
bonds (distance) C4'-P energy: -46.741
bonds (distance) P-C4' energy: -58.452
flat angles C4'-P-C4' energy: -54.552
flat angles P-C4'-P energy: -33.005
tors. eta vs tors. theta energy: -54.548
Dist. restrs. and SS energy: 9.824 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -754.737864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.737864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.805295 (E_RNA)
where:
Base-Base interactions energy: -542.219
where: short stacking energy: -212.439
Base-Backbone interact. energy: 3.871
local terms energy: -228.458077
where:
bonds (distance) C4'-P energy: -52.808
bonds (distance) P-C4' energy: -55.514
flat angles C4'-P-C4' energy: -40.927
flat angles P-C4'-P energy: -27.290
tors. eta vs tors. theta energy: -51.920
Dist. restrs. and SS energy: 12.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -1212.685792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.685792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.796871 (E_RNA)
where:
Base-Base interactions energy: -831.953
where: short stacking energy: -360.762
Base-Backbone interact. energy: -1.169
local terms energy: -382.674948
where:
bonds (distance) C4'-P energy: -68.735
bonds (distance) P-C4' energy: -70.018
flat angles C4'-P-C4' energy: -77.416
flat angles P-C4'-P energy: -57.933
tors. eta vs tors. theta energy: -108.573
Dist. restrs. and SS energy: 3.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -1160.524369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.524369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.286659 (E_RNA)
where:
Base-Base interactions energy: -825.613
where: short stacking energy: -342.545
Base-Backbone interact. energy: 0.291
local terms energy: -337.964899
where:
bonds (distance) C4'-P energy: -57.265
bonds (distance) P-C4' energy: -61.222
flat angles C4'-P-C4' energy: -74.451
flat angles P-C4'-P energy: -51.517
tors. eta vs tors. theta energy: -93.510
Dist. restrs. and SS energy: 2.762 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -1136.747867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.747867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.805862 (E_RNA)
where:
Base-Base interactions energy: -782.370
where: short stacking energy: -325.976
Base-Backbone interact. energy: -0.742
local terms energy: -356.694288
where:
bonds (distance) C4'-P energy: -70.821
bonds (distance) P-C4' energy: -68.875
flat angles C4'-P-C4' energy: -81.122
flat angles P-C4'-P energy: -45.744
tors. eta vs tors. theta energy: -90.133
Dist. restrs. and SS energy: 3.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -1087.539353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.539353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.127497 (E_RNA)
where:
Base-Base interactions energy: -749.857
where: short stacking energy: -303.578
Base-Backbone interact. energy: -2.086
local terms energy: -339.184383
where:
bonds (distance) C4'-P energy: -64.403
bonds (distance) P-C4' energy: -66.020
flat angles C4'-P-C4' energy: -70.807
flat angles P-C4'-P energy: -52.856
tors. eta vs tors. theta energy: -85.098
Dist. restrs. and SS energy: 3.588 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -1083.415885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.415885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.052990 (E_RNA)
where:
Base-Base interactions energy: -761.645
where: short stacking energy: -313.682
Base-Backbone interact. energy: -1.356
local terms energy: -325.051922
where:
bonds (distance) C4'-P energy: -64.082
bonds (distance) P-C4' energy: -61.594
flat angles C4'-P-C4' energy: -73.567
flat angles P-C4'-P energy: -42.304
tors. eta vs tors. theta energy: -83.505
Dist. restrs. and SS energy: 4.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -1006.079903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.079903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.018957 (E_RNA)
where:
Base-Base interactions energy: -703.293
where: short stacking energy: -282.356
Base-Backbone interact. energy: -0.562
local terms energy: -305.164266
where:
bonds (distance) C4'-P energy: -50.136
bonds (distance) P-C4' energy: -74.282
flat angles C4'-P-C4' energy: -60.279
flat angles P-C4'-P energy: -44.113
tors. eta vs tors. theta energy: -76.355
Dist. restrs. and SS energy: 2.939 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -966.170751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.170751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.547461 (E_RNA)
where:
Base-Base interactions energy: -682.574
where: short stacking energy: -260.216
Base-Backbone interact. energy: -1.764
local terms energy: -285.209629
where:
bonds (distance) C4'-P energy: -62.671
bonds (distance) P-C4' energy: -57.840
flat angles C4'-P-C4' energy: -63.140
flat angles P-C4'-P energy: -34.739
tors. eta vs tors. theta energy: -66.819
Dist. restrs. and SS energy: 3.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -894.963530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.963530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.668032 (E_RNA)
where:
Base-Base interactions energy: -627.983
where: short stacking energy: -246.911
Base-Backbone interact. energy: -0.689
local terms energy: -273.995690
where:
bonds (distance) C4'-P energy: -58.547
bonds (distance) P-C4' energy: -50.130
flat angles C4'-P-C4' energy: -63.127
flat angles P-C4'-P energy: -35.636
tors. eta vs tors. theta energy: -66.557
Dist. restrs. and SS energy: 7.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -895.554613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.554613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.113876 (E_RNA)
where:
Base-Base interactions energy: -645.535
where: short stacking energy: -251.477
Base-Backbone interact. energy: 0.670
local terms energy: -257.249412
where:
bonds (distance) C4'-P energy: -46.537
bonds (distance) P-C4' energy: -49.378
flat angles C4'-P-C4' energy: -63.647
flat angles P-C4'-P energy: -38.442
tors. eta vs tors. theta energy: -59.247
Dist. restrs. and SS energy: 6.559 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -749.588706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.588706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.197171 (E_RNA)
where:
Base-Base interactions energy: -543.176
where: short stacking energy: -224.260
Base-Backbone interact. energy: -1.045
local terms energy: -215.976546
where:
bonds (distance) C4'-P energy: -47.724
bonds (distance) P-C4' energy: -49.986
flat angles C4'-P-C4' energy: -54.476
flat angles P-C4'-P energy: -26.824
tors. eta vs tors. theta energy: -36.967
Dist. restrs. and SS energy: 10.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -1199.665686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.665686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.044106 (E_RNA)
where:
Base-Base interactions energy: -831.912
where: short stacking energy: -357.732
Base-Backbone interact. energy: -1.953
local terms energy: -369.179314
where:
bonds (distance) C4'-P energy: -64.673
bonds (distance) P-C4' energy: -69.601
flat angles C4'-P-C4' energy: -72.939
flat angles P-C4'-P energy: -59.382
tors. eta vs tors. theta energy: -102.585
Dist. restrs. and SS energy: 3.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -1161.144614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.144614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.358050 (E_RNA)
where:
Base-Base interactions energy: -816.143
where: short stacking energy: -328.376
Base-Backbone interact. energy: -2.469
local terms energy: -345.746073
where:
bonds (distance) C4'-P energy: -62.481
bonds (distance) P-C4' energy: -70.446
flat angles C4'-P-C4' energy: -70.507
flat angles P-C4'-P energy: -46.040
tors. eta vs tors. theta energy: -96.272
Dist. restrs. and SS energy: 3.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -1151.350674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.350674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.206918 (E_RNA)
where:
Base-Base interactions energy: -785.417
where: short stacking energy: -328.072
Base-Backbone interact. energy: -0.726
local terms energy: -370.064770
where:
bonds (distance) C4'-P energy: -69.347
bonds (distance) P-C4' energy: -64.995
flat angles C4'-P-C4' energy: -81.155
flat angles P-C4'-P energy: -56.795
tors. eta vs tors. theta energy: -97.773
Dist. restrs. and SS energy: 4.856 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -1083.076874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.076874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.973592 (E_RNA)
where:
Base-Base interactions energy: -765.386
where: short stacking energy: -317.686
Base-Backbone interact. energy: -0.765
local terms energy: -320.822286
where:
bonds (distance) C4'-P energy: -55.299
bonds (distance) P-C4' energy: -55.191
flat angles C4'-P-C4' energy: -71.084
flat angles P-C4'-P energy: -53.650
tors. eta vs tors. theta energy: -85.598
Dist. restrs. and SS energy: 3.897 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -1050.447123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.447123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.499891 (E_RNA)
where:
Base-Base interactions energy: -748.818
where: short stacking energy: -292.019
Base-Backbone interact. energy: -0.326
local terms energy: -307.355448
where:
bonds (distance) C4'-P energy: -60.096
bonds (distance) P-C4' energy: -63.291
flat angles C4'-P-C4' energy: -61.835
flat angles P-C4'-P energy: -39.632
tors. eta vs tors. theta energy: -82.501
Dist. restrs. and SS energy: 6.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -1024.927702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.927702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.418490 (E_RNA)
where:
Base-Base interactions energy: -724.301
where: short stacking energy: -291.776
Base-Backbone interact. energy: -1.052
local terms energy: -303.065645
where:
bonds (distance) C4'-P energy: -64.692
bonds (distance) P-C4' energy: -59.330
flat angles C4'-P-C4' energy: -60.786
flat angles P-C4'-P energy: -43.999
tors. eta vs tors. theta energy: -74.259
Dist. restrs. and SS energy: 3.491 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -964.397565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.397565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.610005 (E_RNA)
where:
Base-Base interactions energy: -663.238
where: short stacking energy: -259.694
Base-Backbone interact. energy: 0.377
local terms energy: -305.748962
where:
bonds (distance) C4'-P energy: -66.999
bonds (distance) P-C4' energy: -63.376
flat angles C4'-P-C4' energy: -71.851
flat angles P-C4'-P energy: -34.068
tors. eta vs tors. theta energy: -69.456
Dist. restrs. and SS energy: 4.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -873.930062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.930062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.866584 (E_RNA)
where:
Base-Base interactions energy: -640.425
where: short stacking energy: -241.028
Base-Backbone interact. energy: 0.438
local terms energy: -240.879335
where:
bonds (distance) C4'-P energy: -36.668
bonds (distance) P-C4' energy: -56.559
flat angles C4'-P-C4' energy: -62.224
flat angles P-C4'-P energy: -40.534
tors. eta vs tors. theta energy: -44.894
Dist. restrs. and SS energy: 6.937 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -891.429357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.429357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.565214 (E_RNA)
where:
Base-Base interactions energy: -648.482
where: short stacking energy: -248.536
Base-Backbone interact. energy: 3.608
local terms energy: -250.691367
where:
bonds (distance) C4'-P energy: -42.294
bonds (distance) P-C4' energy: -53.565
flat angles C4'-P-C4' energy: -58.653
flat angles P-C4'-P energy: -34.849
tors. eta vs tors. theta energy: -61.331
Dist. restrs. and SS energy: 4.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -794.241275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.241275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.337806 (E_RNA)
where:
Base-Base interactions energy: -551.456
where: short stacking energy: -201.548
Base-Backbone interact. energy: 2.632
local terms energy: -263.514012
where:
bonds (distance) C4'-P energy: -48.275
bonds (distance) P-C4' energy: -55.407
flat angles C4'-P-C4' energy: -65.689
flat angles P-C4'-P energy: -41.673
tors. eta vs tors. theta energy: -52.470
Dist. restrs. and SS energy: 18.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -1181.815500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.815500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.715601 (E_RNA)
where:
Base-Base interactions energy: -809.766
where: short stacking energy: -347.025
Base-Backbone interact. energy: -1.617
local terms energy: -374.332361
where:
bonds (distance) C4'-P energy: -70.147
bonds (distance) P-C4' energy: -74.519
flat angles C4'-P-C4' energy: -76.822
flat angles P-C4'-P energy: -54.786
tors. eta vs tors. theta energy: -98.057
Dist. restrs. and SS energy: 3.900 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -1194.344069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.344069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.131436 (E_RNA)
where:
Base-Base interactions energy: -860.094
where: short stacking energy: -339.988
Base-Backbone interact. energy: -2.878
local terms energy: -334.160054
where:
bonds (distance) C4'-P energy: -57.443
bonds (distance) P-C4' energy: -65.609
flat angles C4'-P-C4' energy: -67.787
flat angles P-C4'-P energy: -43.586
tors. eta vs tors. theta energy: -99.735
Dist. restrs. and SS energy: 2.787 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -1130.844922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.844922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.167850 (E_RNA)
where:
Base-Base interactions energy: -799.768
where: short stacking energy: -313.914
Base-Backbone interact. energy: -2.910
local terms energy: -331.489329
where:
bonds (distance) C4'-P energy: -43.372
bonds (distance) P-C4' energy: -69.553
flat angles C4'-P-C4' energy: -77.275
flat angles P-C4'-P energy: -48.999
tors. eta vs tors. theta energy: -92.291
Dist. restrs. and SS energy: 3.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -1082.822524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.822524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.355543 (E_RNA)
where:
Base-Base interactions energy: -763.604
where: short stacking energy: -306.249
Base-Backbone interact. energy: -0.729
local terms energy: -322.022536
where:
bonds (distance) C4'-P energy: -60.058
bonds (distance) P-C4' energy: -68.123
flat angles C4'-P-C4' energy: -70.139
flat angles P-C4'-P energy: -43.821
tors. eta vs tors. theta energy: -79.881
Dist. restrs. and SS energy: 3.533 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -1054.282671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.282671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.744149 (E_RNA)
where:
Base-Base interactions energy: -742.974
where: short stacking energy: -304.327
Base-Backbone interact. energy: -2.387
local terms energy: -312.383327
where:
bonds (distance) C4'-P energy: -60.274
bonds (distance) P-C4' energy: -62.039
flat angles C4'-P-C4' energy: -68.908
flat angles P-C4'-P energy: -41.948
tors. eta vs tors. theta energy: -79.215
Dist. restrs. and SS energy: 3.461 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -1076.879541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.879541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.113116 (E_RNA)
where:
Base-Base interactions energy: -746.427
where: short stacking energy: -317.676
Base-Backbone interact. energy: 0.160
local terms energy: -335.846419
where:
bonds (distance) C4'-P energy: -59.355
bonds (distance) P-C4' energy: -67.404
flat angles C4'-P-C4' energy: -66.128
flat angles P-C4'-P energy: -45.936
tors. eta vs tors. theta energy: -97.025
Dist. restrs. and SS energy: 5.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -960.265646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.265646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.582267 (E_RNA)
where:
Base-Base interactions energy: -668.712
where: short stacking energy: -260.626
Base-Backbone interact. energy: -1.945
local terms energy: -292.925328
where:
bonds (distance) C4'-P energy: -50.948
bonds (distance) P-C4' energy: -69.599
flat angles C4'-P-C4' energy: -65.343
flat angles P-C4'-P energy: -40.968
tors. eta vs tors. theta energy: -66.067
Dist. restrs. and SS energy: 3.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -879.535917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.535917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.912977 (E_RNA)
where:
Base-Base interactions energy: -622.466
where: short stacking energy: -229.284
Base-Backbone interact. energy: 1.846
local terms energy: -263.292558
where:
bonds (distance) C4'-P energy: -58.704
bonds (distance) P-C4' energy: -62.590
flat angles C4'-P-C4' energy: -62.058
flat angles P-C4'-P energy: -33.830
tors. eta vs tors. theta energy: -46.110
Dist. restrs. and SS energy: 4.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -848.577572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.577572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.368381 (E_RNA)
where:
Base-Base interactions energy: -607.051
where: short stacking energy: -244.495
Base-Backbone interact. energy: -0.304
local terms energy: -247.013384
where:
bonds (distance) C4'-P energy: -50.904
bonds (distance) P-C4' energy: -52.266
flat angles C4'-P-C4' energy: -57.199
flat angles P-C4'-P energy: -40.593
tors. eta vs tors. theta energy: -46.051
Dist. restrs. and SS energy: 5.791 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -785.738616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.738616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.538224 (E_RNA)
where:
Base-Base interactions energy: -539.076
where: short stacking energy: -209.484
Base-Backbone interact. energy: 1.364
local terms energy: -256.825541
where:
bonds (distance) C4'-P energy: -51.234
bonds (distance) P-C4' energy: -46.354
flat angles C4'-P-C4' energy: -71.716
flat angles P-C4'-P energy: -42.144
tors. eta vs tors. theta energy: -45.377
Dist. restrs. and SS energy: 8.800 (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: 80
Temperature: 0.900000
Total energy: -1218.350565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.350565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.997270 (E_RNA)
where:
Base-Base interactions energy: -853.980
where: short stacking energy: -331.166
Base-Backbone interact. energy: -1.742
local terms energy: -366.275176
where:
bonds (distance) C4'-P energy: -70.920
bonds (distance) P-C4' energy: -69.452
flat angles C4'-P-C4' energy: -72.906
flat angles P-C4'-P energy: -58.031
tors. eta vs tors. theta energy: -94.968
Dist. restrs. and SS energy: 3.647 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -1161.261104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.261104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.066834 (E_RNA)
where:
Base-Base interactions energy: -806.094
where: short stacking energy: -319.560
Base-Backbone interact. energy: -5.916
local terms energy: -353.056868
where:
bonds (distance) C4'-P energy: -56.954
bonds (distance) P-C4' energy: -76.156
flat angles C4'-P-C4' energy: -70.367
flat angles P-C4'-P energy: -52.905
tors. eta vs tors. theta energy: -96.674
Dist. restrs. and SS energy: 3.806 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -1114.052273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.052273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.234079 (E_RNA)
where:
Base-Base interactions energy: -777.940
where: short stacking energy: -324.169
Base-Backbone interact. energy: -1.777
local terms energy: -337.517001
where:
bonds (distance) C4'-P energy: -62.950
bonds (distance) P-C4' energy: -58.897
flat angles C4'-P-C4' energy: -75.806
flat angles P-C4'-P energy: -46.669
tors. eta vs tors. theta energy: -93.194
Dist. restrs. and SS energy: 3.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -1060.750710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.750710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.150525 (E_RNA)
where:
Base-Base interactions energy: -743.207
where: short stacking energy: -308.606
Base-Backbone interact. energy: 0.735
local terms energy: -321.678385
where:
bonds (distance) C4'-P energy: -55.857
bonds (distance) P-C4' energy: -63.408
flat angles C4'-P-C4' energy: -73.575
flat angles P-C4'-P energy: -45.330
tors. eta vs tors. theta energy: -83.508
Dist. restrs. and SS energy: 3.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -1061.353198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.353198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.007680 (E_RNA)
where:
Base-Base interactions energy: -738.738
where: short stacking energy: -287.390
Base-Backbone interact. energy: -0.962
local terms energy: -324.307709
where:
bonds (distance) C4'-P energy: -68.325
bonds (distance) P-C4' energy: -61.824
flat angles C4'-P-C4' energy: -65.337
flat angles P-C4'-P energy: -40.364
tors. eta vs tors. theta energy: -88.458
Dist. restrs. and SS energy: 2.654 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -1015.088945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.088945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.702892 (E_RNA)
where:
Base-Base interactions energy: -708.513
where: short stacking energy: -291.710
Base-Backbone interact. energy: -0.964
local terms energy: -309.226332
where:
bonds (distance) C4'-P energy: -52.279
bonds (distance) P-C4' energy: -57.854
flat angles C4'-P-C4' energy: -71.294
flat angles P-C4'-P energy: -39.733
tors. eta vs tors. theta energy: -88.068
Dist. restrs. and SS energy: 3.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -946.643866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.643866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.237693 (E_RNA)
where:
Base-Base interactions energy: -657.231
where: short stacking energy: -262.704
Base-Backbone interact. energy: -2.826
local terms energy: -290.180408
where:
bonds (distance) C4'-P energy: -58.496
bonds (distance) P-C4' energy: -63.838
flat angles C4'-P-C4' energy: -62.684
flat angles P-C4'-P energy: -47.903
tors. eta vs tors. theta energy: -57.259
Dist. restrs. and SS energy: 3.594 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -902.103569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.103569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.699322 (E_RNA)
where:
Base-Base interactions energy: -631.321
where: short stacking energy: -243.111
Base-Backbone interact. energy: -1.143
local terms energy: -278.234869
where:
bonds (distance) C4'-P energy: -68.358
bonds (distance) P-C4' energy: -60.770
flat angles C4'-P-C4' energy: -54.876
flat angles P-C4'-P energy: -31.855
tors. eta vs tors. theta energy: -62.376
Dist. restrs. and SS energy: 8.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -864.750405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.750405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.656508 (E_RNA)
where:
Base-Base interactions energy: -624.960
where: short stacking energy: -241.791
Base-Backbone interact. energy: -0.663
local terms energy: -248.033409
where:
bonds (distance) C4'-P energy: -45.477
bonds (distance) P-C4' energy: -53.269
flat angles C4'-P-C4' energy: -50.391
flat angles P-C4'-P energy: -42.546
tors. eta vs tors. theta energy: -56.352
Dist. restrs. and SS energy: 8.906 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -771.728398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.728398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.624240 (E_RNA)
where:
Base-Base interactions energy: -532.388
where: short stacking energy: -192.173
Base-Backbone interact. energy: -0.480
local terms energy: -250.756647
where:
bonds (distance) C4'-P energy: -48.183
bonds (distance) P-C4' energy: -53.302
flat angles C4'-P-C4' energy: -65.527
flat angles P-C4'-P energy: -48.378
tors. eta vs tors. theta energy: -35.366
Dist. restrs. and SS energy: 11.896 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -1213.690265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.690265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.272772 (E_RNA)
where:
Base-Base interactions energy: -853.687
where: short stacking energy: -334.820
Base-Backbone interact. energy: -1.782
local terms energy: -361.804200
where:
bonds (distance) C4'-P energy: -63.627
bonds (distance) P-C4' energy: -65.862
flat angles C4'-P-C4' energy: -78.103
flat angles P-C4'-P energy: -51.621
tors. eta vs tors. theta energy: -102.591
Dist. restrs. and SS energy: 3.583 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -1200.242234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.242234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.958473 (E_RNA)
where:
Base-Base interactions energy: -836.509
where: short stacking energy: -342.702
Base-Backbone interact. energy: -0.514
local terms energy: -366.935363
where:
bonds (distance) C4'-P energy: -68.792
bonds (distance) P-C4' energy: -70.146
flat angles C4'-P-C4' energy: -77.677
flat angles P-C4'-P energy: -50.433
tors. eta vs tors. theta energy: -99.887
Dist. restrs. and SS energy: 3.716 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -1112.523843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.523843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.895939 (E_RNA)
where:
Base-Base interactions energy: -768.161
where: short stacking energy: -321.090
Base-Backbone interact. energy: -1.966
local terms energy: -345.768132
where:
bonds (distance) C4'-P energy: -73.219
bonds (distance) P-C4' energy: -67.276
flat angles C4'-P-C4' energy: -72.028
flat angles P-C4'-P energy: -40.170
tors. eta vs tors. theta energy: -93.075
Dist. restrs. and SS energy: 3.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -1104.854505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.854505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.850660 (E_RNA)
where:
Base-Base interactions energy: -773.069
where: short stacking energy: -318.950
Base-Backbone interact. energy: -1.348
local terms energy: -334.433428
where:
bonds (distance) C4'-P energy: -56.331
bonds (distance) P-C4' energy: -55.447
flat angles C4'-P-C4' energy: -77.006
flat angles P-C4'-P energy: -44.343
tors. eta vs tors. theta energy: -101.306
Dist. restrs. and SS energy: 3.996 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -1038.512761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.512761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.202870 (E_RNA)
where:
Base-Base interactions energy: -715.533
where: short stacking energy: -296.657
Base-Backbone interact. energy: -1.812
local terms energy: -324.857096
where:
bonds (distance) C4'-P energy: -65.061
bonds (distance) P-C4' energy: -63.001
flat angles C4'-P-C4' energy: -61.267
flat angles P-C4'-P energy: -54.528
tors. eta vs tors. theta energy: -81.000
Dist. restrs. and SS energy: 3.690 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -1015.797117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.797117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.222928 (E_RNA)
where:
Base-Base interactions energy: -698.809
where: short stacking energy: -283.256
Base-Backbone interact. energy: -0.516
local terms energy: -323.897714
where:
bonds (distance) C4'-P energy: -68.386
bonds (distance) P-C4' energy: -68.213
flat angles C4'-P-C4' energy: -65.379
flat angles P-C4'-P energy: -39.034
tors. eta vs tors. theta energy: -82.886
Dist. restrs. and SS energy: 7.426 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -952.796068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.796068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.420840 (E_RNA)
where:
Base-Base interactions energy: -685.676
where: short stacking energy: -278.328
Base-Backbone interact. energy: -0.574
local terms energy: -272.170975
where:
bonds (distance) C4'-P energy: -42.234
bonds (distance) P-C4' energy: -57.283
flat angles C4'-P-C4' energy: -56.686
flat angles P-C4'-P energy: -44.537
tors. eta vs tors. theta energy: -71.431
Dist. restrs. and SS energy: 5.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -922.672844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.672844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.943992 (E_RNA)
where:
Base-Base interactions energy: -642.809
where: short stacking energy: -275.291
Base-Backbone interact. energy: -0.149
local terms energy: -286.985610
where:
bonds (distance) C4'-P energy: -55.940
bonds (distance) P-C4' energy: -54.411
flat angles C4'-P-C4' energy: -60.304
flat angles P-C4'-P energy: -47.317
tors. eta vs tors. theta energy: -69.014
Dist. restrs. and SS energy: 7.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -863.313293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.313293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.266950 (E_RNA)
where:
Base-Base interactions energy: -587.013
where: short stacking energy: -250.274
Base-Backbone interact. energy: -0.609
local terms energy: -284.644787
where:
bonds (distance) C4'-P energy: -55.720
bonds (distance) P-C4' energy: -50.591
flat angles C4'-P-C4' energy: -64.608
flat angles P-C4'-P energy: -44.145
tors. eta vs tors. theta energy: -69.580
Dist. restrs. and SS energy: 8.954 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -809.586516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.586516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.505016 (E_RNA)
where:
Base-Base interactions energy: -569.134
where: short stacking energy: -215.837
Base-Backbone interact. energy: 1.323
local terms energy: -249.694206
where:
bonds (distance) C4'-P energy: -45.171
bonds (distance) P-C4' energy: -45.802
flat angles C4'-P-C4' energy: -62.959
flat angles P-C4'-P energy: -44.587
tors. eta vs tors. theta energy: -51.175
Dist. restrs. and SS energy: 7.918 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -1211.008818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.008818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.128385 (E_RNA)
where:
Base-Base interactions energy: -853.589
where: short stacking energy: -335.512
Base-Backbone interact. energy: -3.105
local terms energy: -357.435174
where:
bonds (distance) C4'-P energy: -62.776
bonds (distance) P-C4' energy: -71.916
flat angles C4'-P-C4' energy: -74.988
flat angles P-C4'-P energy: -48.281
tors. eta vs tors. theta energy: -99.475
Dist. restrs. and SS energy: 3.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -1179.373417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.373417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.020771 (E_RNA)
where:
Base-Base interactions energy: -818.337
where: short stacking energy: -334.583
Base-Backbone interact. energy: -0.073
local terms energy: -366.610691
where:
bonds (distance) C4'-P energy: -63.529
bonds (distance) P-C4' energy: -69.175
flat angles C4'-P-C4' energy: -77.883
flat angles P-C4'-P energy: -58.964
tors. eta vs tors. theta energy: -97.059
Dist. restrs. and SS energy: 5.647 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -1141.349087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.349087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.928250 (E_RNA)
where:
Base-Base interactions energy: -803.135
where: short stacking energy: -329.729
Base-Backbone interact. energy: -3.269
local terms energy: -338.524611
where:
bonds (distance) C4'-P energy: -60.649
bonds (distance) P-C4' energy: -61.220
flat angles C4'-P-C4' energy: -73.579
flat angles P-C4'-P energy: -49.588
tors. eta vs tors. theta energy: -93.489
Dist. restrs. and SS energy: 3.579 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -1061.844830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.844830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.458022 (E_RNA)
where:
Base-Base interactions energy: -751.415
where: short stacking energy: -298.299
Base-Backbone interact. energy: -2.559
local terms energy: -311.484453
where:
bonds (distance) C4'-P energy: -62.836
bonds (distance) P-C4' energy: -60.831
flat angles C4'-P-C4' energy: -72.542
flat angles P-C4'-P energy: -41.059
tors. eta vs tors. theta energy: -74.217
Dist. restrs. and SS energy: 3.613 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -1038.262184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.262184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.243920 (E_RNA)
where:
Base-Base interactions energy: -700.352
where: short stacking energy: -281.562
Base-Backbone interact. energy: -1.033
local terms energy: -340.859140
where:
bonds (distance) C4'-P energy: -63.861
bonds (distance) P-C4' energy: -70.273
flat angles C4'-P-C4' energy: -69.162
flat angles P-C4'-P energy: -56.171
tors. eta vs tors. theta energy: -81.392
Dist. restrs. and SS energy: 3.982 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -1030.010367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.010367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.624902 (E_RNA)
where:
Base-Base interactions energy: -714.343
where: short stacking energy: -264.973
Base-Backbone interact. energy: -3.098
local terms energy: -316.184600
where:
bonds (distance) C4'-P energy: -58.545
bonds (distance) P-C4' energy: -65.886
flat angles C4'-P-C4' energy: -71.479
flat angles P-C4'-P energy: -45.257
tors. eta vs tors. theta energy: -75.019
Dist. restrs. and SS energy: 3.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -971.544704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.544704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.315678 (E_RNA)
where:
Base-Base interactions energy: -674.354
where: short stacking energy: -252.138
Base-Backbone interact. energy: -1.910
local terms energy: -299.050840
where:
bonds (distance) C4'-P energy: -57.225
bonds (distance) P-C4' energy: -61.716
flat angles C4'-P-C4' energy: -61.538
flat angles P-C4'-P energy: -45.311
tors. eta vs tors. theta energy: -73.261
Dist. restrs. and SS energy: 3.771 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -941.324551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.324551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.248462 (E_RNA)
where:
Base-Base interactions energy: -669.617
where: short stacking energy: -264.548
Base-Backbone interact. energy: -2.965
local terms energy: -272.666470
where:
bonds (distance) C4'-P energy: -53.198
bonds (distance) P-C4' energy: -57.583
flat angles C4'-P-C4' energy: -49.096
flat angles P-C4'-P energy: -43.900
tors. eta vs tors. theta energy: -68.888
Dist. restrs. and SS energy: 3.924 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -868.476716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.476716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.573594 (E_RNA)
where:
Base-Base interactions energy: -618.021
where: short stacking energy: -250.058
Base-Backbone interact. energy: 0.750
local terms energy: -262.302385
where:
bonds (distance) C4'-P energy: -61.534
bonds (distance) P-C4' energy: -56.476
flat angles C4'-P-C4' energy: -52.920
flat angles P-C4'-P energy: -40.615
tors. eta vs tors. theta energy: -50.757
Dist. restrs. and SS energy: 11.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -788.695180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.695180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.289487 (E_RNA)
where:
Base-Base interactions energy: -544.766
where: short stacking energy: -210.232
Base-Backbone interact. energy: 8.618
local terms energy: -264.140815
where:
bonds (distance) C4'-P energy: -56.957
bonds (distance) P-C4' energy: -58.411
flat angles C4'-P-C4' energy: -63.726
flat angles P-C4'-P energy: -37.529
tors. eta vs tors. theta energy: -47.519
Dist. restrs. and SS energy: 11.594 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -1204.320939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.320939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.200052 (E_RNA)
where:
Base-Base interactions energy: -850.990
where: short stacking energy: -330.929
Base-Backbone interact. energy: -4.153
local terms energy: -353.057523
where:
bonds (distance) C4'-P energy: -65.150
bonds (distance) P-C4' energy: -62.139
flat angles C4'-P-C4' energy: -72.173
flat angles P-C4'-P energy: -60.826
tors. eta vs tors. theta energy: -92.770
Dist. restrs. and SS energy: 3.879 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -1198.948173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.948173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.682138 (E_RNA)
where:
Base-Base interactions energy: -831.963
where: short stacking energy: -346.314
Base-Backbone interact. energy: -1.508
local terms energy: -369.211067
where:
bonds (distance) C4'-P energy: -67.332
bonds (distance) P-C4' energy: -65.931
flat angles C4'-P-C4' energy: -74.753
flat angles P-C4'-P energy: -59.196
tors. eta vs tors. theta energy: -102.000
Dist. restrs. and SS energy: 3.734 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -1163.872134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.872134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.746051 (E_RNA)
where:
Base-Base interactions energy: -800.460
where: short stacking energy: -337.246
Base-Backbone interact. energy: -1.437
local terms energy: -364.848853
where:
bonds (distance) C4'-P energy: -69.765
bonds (distance) P-C4' energy: -64.803
flat angles C4'-P-C4' energy: -75.334
flat angles P-C4'-P energy: -53.719
tors. eta vs tors. theta energy: -101.228
Dist. restrs. and SS energy: 2.874 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -1133.797480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.797480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.735699 (E_RNA)
where:
Base-Base interactions energy: -811.154
where: short stacking energy: -324.806
Base-Backbone interact. energy: 1.708
local terms energy: -328.289549
where:
bonds (distance) C4'-P energy: -65.538
bonds (distance) P-C4' energy: -53.639
flat angles C4'-P-C4' energy: -78.539
flat angles P-C4'-P energy: -43.712
tors. eta vs tors. theta energy: -86.863
Dist. restrs. and SS energy: 3.938 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -1043.241805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.241805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.576635 (E_RNA)
where:
Base-Base interactions energy: -724.170
where: short stacking energy: -288.963
Base-Backbone interact. energy: 3.135
local terms energy: -326.541769
where:
bonds (distance) C4'-P energy: -68.395
bonds (distance) P-C4' energy: -56.216
flat angles C4'-P-C4' energy: -64.655
flat angles P-C4'-P energy: -57.752
tors. eta vs tors. theta energy: -79.524
Dist. restrs. and SS energy: 4.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -1015.842982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.842982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.242810 (E_RNA)
where:
Base-Base interactions energy: -718.917
where: short stacking energy: -291.515
Base-Backbone interact. energy: -1.332
local terms energy: -299.993984
where:
bonds (distance) C4'-P energy: -43.533
bonds (distance) P-C4' energy: -62.758
flat angles C4'-P-C4' energy: -69.477
flat angles P-C4'-P energy: -47.341
tors. eta vs tors. theta energy: -76.884
Dist. restrs. and SS energy: 4.400 (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: 83
Temperature: 1.200000
Total energy: -994.199989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.199989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.824784 (E_RNA)
where:
Base-Base interactions energy: -682.188
where: short stacking energy: -276.129
Base-Backbone interact. energy: -0.002
local terms energy: -315.634794
where:
bonds (distance) C4'-P energy: -47.124
bonds (distance) P-C4' energy: -78.704
flat angles C4'-P-C4' energy: -74.877
flat angles P-C4'-P energy: -45.010
tors. eta vs tors. theta energy: -69.920
Dist. restrs. and SS energy: 3.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -930.132174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.132174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.377096 (E_RNA)
where:
Base-Base interactions energy: -649.628
where: short stacking energy: -261.661
Base-Backbone interact. energy: -1.193
local terms energy: -289.555801
where:
bonds (distance) C4'-P energy: -57.296
bonds (distance) P-C4' energy: -61.927
flat angles C4'-P-C4' energy: -57.738
flat angles P-C4'-P energy: -44.782
tors. eta vs tors. theta energy: -67.812
Dist. restrs. and SS energy: 10.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -847.348430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.348430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.928498 (E_RNA)
where:
Base-Base interactions energy: -587.941
where: short stacking energy: -235.460
Base-Backbone interact. energy: -2.090
local terms energy: -263.896921
where:
bonds (distance) C4'-P energy: -59.853
bonds (distance) P-C4' energy: -59.028
flat angles C4'-P-C4' energy: -47.915
flat angles P-C4'-P energy: -33.300
tors. eta vs tors. theta energy: -63.801
Dist. restrs. and SS energy: 6.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -765.346259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.346259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.351422 (E_RNA)
where:
Base-Base interactions energy: -554.489
where: short stacking energy: -219.129
Base-Backbone interact. energy: -2.861
local terms energy: -225.002117
where:
bonds (distance) C4'-P energy: -54.357
bonds (distance) P-C4' energy: -30.397
flat angles C4'-P-C4' energy: -60.764
flat angles P-C4'-P energy: -33.857
tors. eta vs tors. theta energy: -45.628
Dist. restrs. and SS energy: 17.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -1210.324051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.324051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.206432 (E_RNA)
where:
Base-Base interactions energy: -851.548
where: short stacking energy: -330.902
Base-Backbone interact. energy: -2.539
local terms energy: -359.119461
where:
bonds (distance) C4'-P energy: -75.150
bonds (distance) P-C4' energy: -70.035
flat angles C4'-P-C4' energy: -75.399
flat angles P-C4'-P energy: -45.421
tors. eta vs tors. theta energy: -93.115
Dist. restrs. and SS energy: 2.882 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -1173.004204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.004204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.815618 (E_RNA)
where:
Base-Base interactions energy: -825.253
where: short stacking energy: -347.380
Base-Backbone interact. energy: -1.649
local terms energy: -348.913331
where:
bonds (distance) C4'-P energy: -62.452
bonds (distance) P-C4' energy: -63.182
flat angles C4'-P-C4' energy: -76.902
flat angles P-C4'-P energy: -46.639
tors. eta vs tors. theta energy: -99.739
Dist. restrs. and SS energy: 2.811 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -1158.995153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.995153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.549560 (E_RNA)
where:
Base-Base interactions energy: -800.535
where: short stacking energy: -335.236
Base-Backbone interact. energy: -1.124
local terms energy: -360.891006
where:
bonds (distance) C4'-P energy: -69.356
bonds (distance) P-C4' energy: -61.147
flat angles C4'-P-C4' energy: -81.471
flat angles P-C4'-P energy: -47.943
tors. eta vs tors. theta energy: -100.974
Dist. restrs. and SS energy: 3.554 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -1092.253080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.253080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.180114 (E_RNA)
where:
Base-Base interactions energy: -768.467
where: short stacking energy: -308.456
Base-Backbone interact. energy: -1.648
local terms energy: -326.065736
where:
bonds (distance) C4'-P energy: -62.344
bonds (distance) P-C4' energy: -51.173
flat angles C4'-P-C4' energy: -74.933
flat angles P-C4'-P energy: -52.126
tors. eta vs tors. theta energy: -85.488
Dist. restrs. and SS energy: 3.927 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -1077.384012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.384012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.007743 (E_RNA)
where:
Base-Base interactions energy: -770.279
where: short stacking energy: -306.008
Base-Backbone interact. energy: 0.835
local terms energy: -312.564456
where:
bonds (distance) C4'-P energy: -60.911
bonds (distance) P-C4' energy: -63.205
flat angles C4'-P-C4' energy: -62.473
flat angles P-C4'-P energy: -38.885
tors. eta vs tors. theta energy: -87.090
Dist. restrs. and SS energy: 4.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -997.941839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.941839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.866522 (E_RNA)
where:
Base-Base interactions energy: -686.217
where: short stacking energy: -262.338
Base-Backbone interact. energy: -0.745
local terms energy: -318.904846
where:
bonds (distance) C4'-P energy: -57.411
bonds (distance) P-C4' energy: -59.831
flat angles C4'-P-C4' energy: -67.334
flat angles P-C4'-P energy: -51.899
tors. eta vs tors. theta energy: -82.430
Dist. restrs. and SS energy: 7.925 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -962.718063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.718063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.190908 (E_RNA)
where:
Base-Base interactions energy: -657.400
where: short stacking energy: -271.934
Base-Backbone interact. energy: -3.418
local terms energy: -306.373319
where:
bonds (distance) C4'-P energy: -62.461
bonds (distance) P-C4' energy: -64.447
flat angles C4'-P-C4' energy: -66.156
flat angles P-C4'-P energy: -41.918
tors. eta vs tors. theta energy: -71.392
Dist. restrs. and SS energy: 4.473 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -893.565403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.565403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.951041 (E_RNA)
where:
Base-Base interactions energy: -613.466
where: short stacking energy: -252.617
Base-Backbone interact. energy: 0.109
local terms energy: -293.593429
where:
bonds (distance) C4'-P energy: -62.919
bonds (distance) P-C4' energy: -74.108
flat angles C4'-P-C4' energy: -43.631
flat angles P-C4'-P energy: -47.210
tors. eta vs tors. theta energy: -65.725
Dist. restrs. and SS energy: 13.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -859.015578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.015578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.122606 (E_RNA)
where:
Base-Base interactions energy: -626.981
where: short stacking energy: -246.214
Base-Backbone interact. energy: 0.478
local terms energy: -236.619532
where:
bonds (distance) C4'-P energy: -62.109
bonds (distance) P-C4' energy: -50.993
flat angles C4'-P-C4' energy: -40.214
flat angles P-C4'-P energy: -33.903
tors. eta vs tors. theta energy: -49.401
Dist. restrs. and SS energy: 4.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -771.308647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.308647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.880997 (E_RNA)
where:
Base-Base interactions energy: -544.168
where: short stacking energy: -189.677
Base-Backbone interact. energy: 0.226
local terms energy: -240.939247
where:
bonds (distance) C4'-P energy: -48.550
bonds (distance) P-C4' energy: -53.784
flat angles C4'-P-C4' energy: -62.078
flat angles P-C4'-P energy: -29.247
tors. eta vs tors. theta energy: -47.279
Dist. restrs. and SS energy: 13.572 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -1208.058062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.058062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.341128 (E_RNA)
where:
Base-Base interactions energy: -856.037
where: short stacking energy: -347.059
Base-Backbone interact. energy: -3.510
local terms energy: -351.794346
where:
bonds (distance) C4'-P energy: -64.951
bonds (distance) P-C4' energy: -73.533
flat angles C4'-P-C4' energy: -71.272
flat angles P-C4'-P energy: -49.869
tors. eta vs tors. theta energy: -92.169
Dist. restrs. and SS energy: 3.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -1199.065803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.065803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.929679 (E_RNA)
where:
Base-Base interactions energy: -841.135
where: short stacking energy: -344.900
Base-Backbone interact. energy: -1.785
local terms energy: -359.009374
where:
bonds (distance) C4'-P energy: -61.525
bonds (distance) P-C4' energy: -69.166
flat angles C4'-P-C4' energy: -75.220
flat angles P-C4'-P energy: -45.659
tors. eta vs tors. theta energy: -107.439
Dist. restrs. and SS energy: 2.864 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -1134.696598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.696598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.872121 (E_RNA)
where:
Base-Base interactions energy: -790.942
where: short stacking energy: -315.955
Base-Backbone interact. energy: -2.524
local terms energy: -344.406655
where:
bonds (distance) C4'-P energy: -66.048
bonds (distance) P-C4' energy: -63.050
flat angles C4'-P-C4' energy: -69.129
flat angles P-C4'-P energy: -45.835
tors. eta vs tors. theta energy: -100.346
Dist. restrs. and SS energy: 3.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -1080.783080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.783080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.460247 (E_RNA)
where:
Base-Base interactions energy: -754.965
where: short stacking energy: -296.196
Base-Backbone interact. energy: -0.991
local terms energy: -328.504710
where:
bonds (distance) C4'-P energy: -58.655
bonds (distance) P-C4' energy: -70.438
flat angles C4'-P-C4' energy: -71.231
flat angles P-C4'-P energy: -48.315
tors. eta vs tors. theta energy: -79.866
Dist. restrs. and SS energy: 3.677 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -1078.282359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.282359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.121675 (E_RNA)
where:
Base-Base interactions energy: -762.461
where: short stacking energy: -324.062
Base-Backbone interact. energy: -0.702
local terms energy: -319.958090
where:
bonds (distance) C4'-P energy: -60.208
bonds (distance) P-C4' energy: -61.641
flat angles C4'-P-C4' energy: -71.788
flat angles P-C4'-P energy: -36.299
tors. eta vs tors. theta energy: -90.023
Dist. restrs. and SS energy: 4.839 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -998.197651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.197651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.599611 (E_RNA)
where:
Base-Base interactions energy: -681.240
where: short stacking energy: -275.739
Base-Backbone interact. energy: 0.548
local terms energy: -325.907739
where:
bonds (distance) C4'-P energy: -54.109
bonds (distance) P-C4' energy: -63.790
flat angles C4'-P-C4' energy: -73.453
flat angles P-C4'-P energy: -48.126
tors. eta vs tors. theta energy: -86.430
Dist. restrs. and SS energy: 8.402 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -964.626656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.626656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.818557 (E_RNA)
where:
Base-Base interactions energy: -687.796
where: short stacking energy: -276.085
Base-Backbone interact. energy: -2.189
local terms energy: -278.834010
where:
bonds (distance) C4'-P energy: -52.942
bonds (distance) P-C4' energy: -58.947
flat angles C4'-P-C4' energy: -58.112
flat angles P-C4'-P energy: -38.521
tors. eta vs tors. theta energy: -70.312
Dist. restrs. and SS energy: 4.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -936.145253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.145253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.491087 (E_RNA)
where:
Base-Base interactions energy: -668.911
where: short stacking energy: -260.257
Base-Backbone interact. energy: -0.730
local terms energy: -271.849655
where:
bonds (distance) C4'-P energy: -57.039
bonds (distance) P-C4' energy: -59.351
flat angles C4'-P-C4' energy: -60.862
flat angles P-C4'-P energy: -38.412
tors. eta vs tors. theta energy: -56.186
Dist. restrs. and SS energy: 5.346 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -876.207893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.207893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.824218 (E_RNA)
where:
Base-Base interactions energy: -622.378
where: short stacking energy: -230.964
Base-Backbone interact. energy: -2.699
local terms energy: -254.747379
where:
bonds (distance) C4'-P energy: -53.017
bonds (distance) P-C4' energy: -51.663
flat angles C4'-P-C4' energy: -55.993
flat angles P-C4'-P energy: -31.386
tors. eta vs tors. theta energy: -62.688
Dist. restrs. and SS energy: 3.616 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -788.895130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.895130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.392270 (E_RNA)
where:
Base-Base interactions energy: -555.257
where: short stacking energy: -215.653
Base-Backbone interact. energy: -1.342
local terms energy: -240.793973
where:
bonds (distance) C4'-P energy: -49.571
bonds (distance) P-C4' energy: -51.935
flat angles C4'-P-C4' energy: -58.009
flat angles P-C4'-P energy: -35.700
tors. eta vs tors. theta energy: -45.579
Dist. restrs. and SS energy: 8.497 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -1230.276369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.276369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.401898 (E_RNA)
where:
Base-Base interactions energy: -857.820
where: short stacking energy: -326.606
Base-Backbone interact. energy: -6.636
local terms energy: -368.945794
where:
bonds (distance) C4'-P energy: -79.354
bonds (distance) P-C4' energy: -69.804
flat angles C4'-P-C4' energy: -74.005
flat angles P-C4'-P energy: -53.405
tors. eta vs tors. theta energy: -92.378
Dist. restrs. and SS energy: 3.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -1177.604441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.604441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.171137 (E_RNA)
where:
Base-Base interactions energy: -829.172
where: short stacking energy: -351.922
Base-Backbone interact. energy: -2.525
local terms energy: -349.474948
where:
bonds (distance) C4'-P energy: -61.108
bonds (distance) P-C4' energy: -61.041
flat angles C4'-P-C4' energy: -70.518
flat angles P-C4'-P energy: -54.005
tors. eta vs tors. theta energy: -102.804
Dist. restrs. and SS energy: 3.567 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -1132.498808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.498808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.555484 (E_RNA)
where:
Base-Base interactions energy: -788.808
where: short stacking energy: -321.900
Base-Backbone interact. energy: -0.371
local terms energy: -347.376353
where:
bonds (distance) C4'-P energy: -61.609
bonds (distance) P-C4' energy: -65.462
flat angles C4'-P-C4' energy: -76.357
flat angles P-C4'-P energy: -59.880
tors. eta vs tors. theta energy: -84.068
Dist. restrs. and SS energy: 4.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -1078.212750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.212750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.239134 (E_RNA)
where:
Base-Base interactions energy: -747.020
where: short stacking energy: -301.040
Base-Backbone interact. energy: -0.328
local terms energy: -334.891047
where:
bonds (distance) C4'-P energy: -68.727
bonds (distance) P-C4' energy: -66.563
flat angles C4'-P-C4' energy: -71.020
flat angles P-C4'-P energy: -44.251
tors. eta vs tors. theta energy: -84.329
Dist. restrs. and SS energy: 4.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -1087.679060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.679060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.815682 (E_RNA)
where:
Base-Base interactions energy: -755.096
where: short stacking energy: -312.243
Base-Backbone interact. energy: -0.326
local terms energy: -335.393506
where:
bonds (distance) C4'-P energy: -60.425
bonds (distance) P-C4' energy: -72.014
flat angles C4'-P-C4' energy: -65.892
flat angles P-C4'-P energy: -47.039
tors. eta vs tors. theta energy: -90.023
Dist. restrs. and SS energy: 3.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -992.146563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.146563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.844606 (E_RNA)
where:
Base-Base interactions energy: -682.456
where: short stacking energy: -290.305
Base-Backbone interact. energy: -2.052
local terms energy: -315.336211
where:
bonds (distance) C4'-P energy: -63.214
bonds (distance) P-C4' energy: -61.835
flat angles C4'-P-C4' energy: -62.817
flat angles P-C4'-P energy: -43.688
tors. eta vs tors. theta energy: -83.782
Dist. restrs. and SS energy: 7.698 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -958.129975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.129975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.415186 (E_RNA)
where:
Base-Base interactions energy: -696.070
where: short stacking energy: -264.067
Base-Backbone interact. energy: 0.216
local terms energy: -266.560903
where:
bonds (distance) C4'-P energy: -50.335
bonds (distance) P-C4' energy: -52.242
flat angles C4'-P-C4' energy: -61.744
flat angles P-C4'-P energy: -32.056
tors. eta vs tors. theta energy: -70.183
Dist. restrs. and SS energy: 4.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -955.352776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.352776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.902875 (E_RNA)
where:
Base-Base interactions energy: -666.957
where: short stacking energy: -257.636
Base-Backbone interact. energy: 0.714
local terms energy: -292.659330
where:
bonds (distance) C4'-P energy: -67.911
bonds (distance) P-C4' energy: -51.544
flat angles C4'-P-C4' energy: -63.824
flat angles P-C4'-P energy: -41.777
tors. eta vs tors. theta energy: -67.604
Dist. restrs. and SS energy: 3.550 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -866.084476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.084476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.737864 (E_RNA)
where:
Base-Base interactions energy: -608.494
where: short stacking energy: -225.531
Base-Backbone interact. energy: -2.100
local terms energy: -259.143655
where:
bonds (distance) C4'-P energy: -61.934
bonds (distance) P-C4' energy: -48.320
flat angles C4'-P-C4' energy: -54.704
flat angles P-C4'-P energy: -33.178
tors. eta vs tors. theta energy: -61.008
Dist. restrs. and SS energy: 3.653 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -816.206674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.206674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.670427 (E_RNA)
where:
Base-Base interactions energy: -568.281
where: short stacking energy: -215.052
Base-Backbone interact. energy: 0.714
local terms energy: -255.103236
where:
bonds (distance) C4'-P energy: -63.219
bonds (distance) P-C4' energy: -51.973
flat angles C4'-P-C4' energy: -64.867
flat angles P-C4'-P energy: -28.247
tors. eta vs tors. theta energy: -46.797
Dist. restrs. and SS energy: 6.464 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -1250.333777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.333777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.029005 (E_RNA)
where:
Base-Base interactions energy: -894.585
where: short stacking energy: -347.729
Base-Backbone interact. energy: -1.448
local terms energy: -356.995517
where:
bonds (distance) C4'-P energy: -66.576
bonds (distance) P-C4' energy: -69.126
flat angles C4'-P-C4' energy: -63.806
flat angles P-C4'-P energy: -60.335
tors. eta vs tors. theta energy: -97.152
Dist. restrs. and SS energy: 2.695 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -1150.440234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.440234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.183713 (E_RNA)
where:
Base-Base interactions energy: -787.327
where: short stacking energy: -327.716
Base-Backbone interact. energy: -2.229
local terms energy: -364.628447
where:
bonds (distance) C4'-P energy: -65.192
bonds (distance) P-C4' energy: -78.941
flat angles C4'-P-C4' energy: -79.602
flat angles P-C4'-P energy: -57.715
tors. eta vs tors. theta energy: -83.177
Dist. restrs. and SS energy: 3.743 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -1156.242089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.242089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.379309 (E_RNA)
where:
Base-Base interactions energy: -813.357
where: short stacking energy: -323.937
Base-Backbone interact. energy: -0.500
local terms energy: -345.522140
where:
bonds (distance) C4'-P energy: -70.691
bonds (distance) P-C4' energy: -58.822
flat angles C4'-P-C4' energy: -66.619
flat angles P-C4'-P energy: -51.837
tors. eta vs tors. theta energy: -97.553
Dist. restrs. and SS energy: 3.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -1122.854749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.854749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.070030 (E_RNA)
where:
Base-Base interactions energy: -791.398
where: short stacking energy: -309.746
Base-Backbone interact. energy: -2.138
local terms energy: -332.533428
where:
bonds (distance) C4'-P energy: -70.042
bonds (distance) P-C4' energy: -60.197
flat angles C4'-P-C4' energy: -68.027
flat angles P-C4'-P energy: -48.852
tors. eta vs tors. theta energy: -85.415
Dist. restrs. and SS energy: 3.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -1048.507437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.507437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.886726 (E_RNA)
where:
Base-Base interactions energy: -716.652
where: short stacking energy: -303.681
Base-Backbone interact. energy: -0.016
local terms energy: -335.218889
where:
bonds (distance) C4'-P energy: -56.465
bonds (distance) P-C4' energy: -69.321
flat angles C4'-P-C4' energy: -74.474
flat angles P-C4'-P energy: -48.855
tors. eta vs tors. theta energy: -86.104
Dist. restrs. and SS energy: 3.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -1006.084610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.084610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.717155 (E_RNA)
where:
Base-Base interactions energy: -709.928
where: short stacking energy: -272.435
Base-Backbone interact. energy: -1.588
local terms energy: -303.201412
where:
bonds (distance) C4'-P energy: -53.642
bonds (distance) P-C4' energy: -66.411
flat angles C4'-P-C4' energy: -68.906
flat angles P-C4'-P energy: -38.100
tors. eta vs tors. theta energy: -76.143
Dist. restrs. and SS energy: 8.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -944.831436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.831436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.898861 (E_RNA)
where:
Base-Base interactions energy: -672.811
where: short stacking energy: -258.246
Base-Backbone interact. energy: -1.274
local terms energy: -274.814131
where:
bonds (distance) C4'-P energy: -52.602
bonds (distance) P-C4' energy: -64.205
flat angles C4'-P-C4' energy: -64.583
flat angles P-C4'-P energy: -39.576
tors. eta vs tors. theta energy: -53.848
Dist. restrs. and SS energy: 4.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -908.682186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.682186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.060134 (E_RNA)
where:
Base-Base interactions energy: -646.843
where: short stacking energy: -267.092
Base-Backbone interact. energy: 0.263
local terms energy: -266.480704
where:
bonds (distance) C4'-P energy: -53.625
bonds (distance) P-C4' energy: -61.544
flat angles C4'-P-C4' energy: -49.251
flat angles P-C4'-P energy: -36.511
tors. eta vs tors. theta energy: -65.550
Dist. restrs. and SS energy: 4.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -922.295159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.295159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.501024 (E_RNA)
where:
Base-Base interactions energy: -659.720
where: short stacking energy: -272.346
Base-Backbone interact. energy: -3.020
local terms energy: -265.761791
where:
bonds (distance) C4'-P energy: -47.767
bonds (distance) P-C4' energy: -41.961
flat angles C4'-P-C4' energy: -70.761
flat angles P-C4'-P energy: -37.820
tors. eta vs tors. theta energy: -67.453
Dist. restrs. and SS energy: 6.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -888.607995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.607995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.204211 (E_RNA)
where:
Base-Base interactions energy: -623.520
where: short stacking energy: -250.438
Base-Backbone interact. energy: 10.285
local terms energy: -279.969262
where:
bonds (distance) C4'-P energy: -52.057
bonds (distance) P-C4' energy: -52.794
flat angles C4'-P-C4' energy: -65.906
flat angles P-C4'-P energy: -42.183
tors. eta vs tors. theta energy: -67.029
Dist. restrs. and SS energy: 4.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -1259.497562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.497562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.584886 (E_RNA)
where:
Base-Base interactions energy: -893.409
where: short stacking energy: -359.848
Base-Backbone interact. energy: 0.300
local terms energy: -369.475929
where:
bonds (distance) C4'-P energy: -65.681
bonds (distance) P-C4' energy: -77.931
flat angles C4'-P-C4' energy: -70.314
flat angles P-C4'-P energy: -55.608
tors. eta vs tors. theta energy: -99.942
Dist. restrs. and SS energy: 3.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -1146.196739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.196739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.758906 (E_RNA)
where:
Base-Base interactions energy: -786.168
where: short stacking energy: -310.777
Base-Backbone interact. energy: -0.736
local terms energy: -363.855150
where:
bonds (distance) C4'-P energy: -67.170
bonds (distance) P-C4' energy: -76.310
flat angles C4'-P-C4' energy: -75.333
flat angles P-C4'-P energy: -52.568
tors. eta vs tors. theta energy: -92.475
Dist. restrs. and SS energy: 4.562 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -1119.826973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.826973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.949021 (E_RNA)
where:
Base-Base interactions energy: -780.109
where: short stacking energy: -314.135
Base-Backbone interact. energy: -2.922
local terms energy: -340.917649
where:
bonds (distance) C4'-P energy: -63.832
bonds (distance) P-C4' energy: -72.151
flat angles C4'-P-C4' energy: -68.056
flat angles P-C4'-P energy: -41.661
tors. eta vs tors. theta energy: -95.219
Dist. restrs. and SS energy: 4.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -1086.765104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.765104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.347459 (E_RNA)
where:
Base-Base interactions energy: -746.357
where: short stacking energy: -307.979
Base-Backbone interact. energy: -1.079
local terms energy: -341.911471
where:
bonds (distance) C4'-P energy: -68.250
bonds (distance) P-C4' energy: -65.997
flat angles C4'-P-C4' energy: -70.392
flat angles P-C4'-P energy: -53.551
tors. eta vs tors. theta energy: -83.722
Dist. restrs. and SS energy: 2.582 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -1046.175130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.175130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.928542 (E_RNA)
where:
Base-Base interactions energy: -706.693
where: short stacking energy: -292.441
Base-Backbone interact. energy: -3.268
local terms energy: -338.967567
where:
bonds (distance) C4'-P energy: -61.572
bonds (distance) P-C4' energy: -66.277
flat angles C4'-P-C4' energy: -71.777
flat angles P-C4'-P energy: -58.483
tors. eta vs tors. theta energy: -80.858
Dist. restrs. and SS energy: 2.753 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -972.913950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.913950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.158992 (E_RNA)
where:
Base-Base interactions energy: -675.183
where: short stacking energy: -258.238
Base-Backbone interact. energy: -2.529
local terms energy: -299.447036
where:
bonds (distance) C4'-P energy: -66.319
bonds (distance) P-C4' energy: -59.144
flat angles C4'-P-C4' energy: -68.622
flat angles P-C4'-P energy: -42.649
tors. eta vs tors. theta energy: -62.713
Dist. restrs. and SS energy: 4.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -945.387675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.387675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.632043 (E_RNA)
where:
Base-Base interactions energy: -667.040
where: short stacking energy: -260.166
Base-Backbone interact. energy: -1.154
local terms energy: -280.438251
where:
bonds (distance) C4'-P energy: -47.597
bonds (distance) P-C4' energy: -66.037
flat angles C4'-P-C4' energy: -64.095
flat angles P-C4'-P energy: -32.268
tors. eta vs tors. theta energy: -70.442
Dist. restrs. and SS energy: 3.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -900.469851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.469851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.854596 (E_RNA)
where:
Base-Base interactions energy: -637.012
where: short stacking energy: -252.223
Base-Backbone interact. energy: -0.699
local terms energy: -268.143162
where:
bonds (distance) C4'-P energy: -50.542
bonds (distance) P-C4' energy: -51.401
flat angles C4'-P-C4' energy: -68.356
flat angles P-C4'-P energy: -39.286
tors. eta vs tors. theta energy: -58.559
Dist. restrs. and SS energy: 5.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -886.661749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.661749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.518620 (E_RNA)
where:
Base-Base interactions energy: -609.200
where: short stacking energy: -237.097
Base-Backbone interact. energy: -2.576
local terms energy: -280.742787
where:
bonds (distance) C4'-P energy: -61.530
bonds (distance) P-C4' energy: -52.831
flat angles C4'-P-C4' energy: -67.041
flat angles P-C4'-P energy: -42.350
tors. eta vs tors. theta energy: -56.990
Dist. restrs. and SS energy: 5.857 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -847.861758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.861758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.246769 (E_RNA)
where:
Base-Base interactions energy: -590.131
where: short stacking energy: -218.761
Base-Backbone interact. energy: -2.223
local terms energy: -261.892664
where:
bonds (distance) C4'-P energy: -53.930
bonds (distance) P-C4' energy: -69.651
flat angles C4'-P-C4' energy: -52.953
flat angles P-C4'-P energy: -31.068
tors. eta vs tors. theta energy: -54.290
Dist. restrs. and SS energy: 6.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -1237.550207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.550207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.046482 (E_RNA)
where:
Base-Base interactions energy: -867.845
where: short stacking energy: -323.886
Base-Backbone interact. energy: -0.755
local terms energy: -373.446195
where:
bonds (distance) C4'-P energy: -72.542
bonds (distance) P-C4' energy: -77.328
flat angles C4'-P-C4' energy: -79.135
flat angles P-C4'-P energy: -51.168
tors. eta vs tors. theta energy: -93.273
Dist. restrs. and SS energy: 4.496 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -1162.416528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.416528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.830328 (E_RNA)
where:
Base-Base interactions energy: -794.868
where: short stacking energy: -338.747
Base-Backbone interact. energy: -3.102
local terms energy: -367.860940
where:
bonds (distance) C4'-P energy: -73.850
bonds (distance) P-C4' energy: -71.752
flat angles C4'-P-C4' energy: -76.075
flat angles P-C4'-P energy: -49.193
tors. eta vs tors. theta energy: -96.991
Dist. restrs. and SS energy: 3.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -1134.234863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.234863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.106158 (E_RNA)
where:
Base-Base interactions energy: -791.013
where: short stacking energy: -322.151
Base-Backbone interact. energy: -1.562
local terms energy: -345.531693
where:
bonds (distance) C4'-P energy: -57.388
bonds (distance) P-C4' energy: -75.494
flat angles C4'-P-C4' energy: -69.024
flat angles P-C4'-P energy: -52.009
tors. eta vs tors. theta energy: -91.617
Dist. restrs. and SS energy: 3.871 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -1067.756117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.756117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.910968 (E_RNA)
where:
Base-Base interactions energy: -748.475
where: short stacking energy: -303.092
Base-Backbone interact. energy: -1.816
local terms energy: -320.619982
where:
bonds (distance) C4'-P energy: -65.368
bonds (distance) P-C4' energy: -55.420
flat angles C4'-P-C4' energy: -71.144
flat angles P-C4'-P energy: -49.587
tors. eta vs tors. theta energy: -79.101
Dist. restrs. and SS energy: 3.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -1045.666046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.666046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.901135 (E_RNA)
where:
Base-Base interactions energy: -740.664
where: short stacking energy: -296.123
Base-Backbone interact. energy: -1.973
local terms energy: -306.264467
where:
bonds (distance) C4'-P energy: -54.648
bonds (distance) P-C4' energy: -64.544
flat angles C4'-P-C4' energy: -58.011
flat angles P-C4'-P energy: -44.594
tors. eta vs tors. theta energy: -84.467
Dist. restrs. and SS energy: 3.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -974.535561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.535561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.539212 (E_RNA)
where:
Base-Base interactions energy: -672.878
where: short stacking energy: -259.676
Base-Backbone interact. energy: 0.346
local terms energy: -305.007430
where:
bonds (distance) C4'-P energy: -66.732
bonds (distance) P-C4' energy: -66.528
flat angles C4'-P-C4' energy: -70.415
flat angles P-C4'-P energy: -36.562
tors. eta vs tors. theta energy: -64.771
Dist. restrs. and SS energy: 3.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -914.861582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.861582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.714918 (E_RNA)
where:
Base-Base interactions energy: -660.600
where: short stacking energy: -254.261
Base-Backbone interact. energy: -2.591
local terms energy: -255.524551
where:
bonds (distance) C4'-P energy: -48.485
bonds (distance) P-C4' energy: -62.607
flat angles C4'-P-C4' energy: -49.932
flat angles P-C4'-P energy: -41.041
tors. eta vs tors. theta energy: -53.460
Dist. restrs. and SS energy: 3.853 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -896.781039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.781039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.168990 (E_RNA)
where:
Base-Base interactions energy: -626.338
where: short stacking energy: -247.841
Base-Backbone interact. energy: 0.921
local terms energy: -277.752126
where:
bonds (distance) C4'-P energy: -54.283
bonds (distance) P-C4' energy: -56.808
flat angles C4'-P-C4' energy: -60.981
flat angles P-C4'-P energy: -52.469
tors. eta vs tors. theta energy: -53.211
Dist. restrs. and SS energy: 6.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -872.763788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.763788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.905428 (E_RNA)
where:
Base-Base interactions energy: -607.194
where: short stacking energy: -229.612
Base-Backbone interact. energy: -1.426
local terms energy: -267.285809
where:
bonds (distance) C4'-P energy: -67.459
bonds (distance) P-C4' energy: -52.472
flat angles C4'-P-C4' energy: -59.104
flat angles P-C4'-P energy: -37.396
tors. eta vs tors. theta energy: -50.855
Dist. restrs. and SS energy: 3.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -800.844158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.844158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.845586 (E_RNA)
where:
Base-Base interactions energy: -565.076
where: short stacking energy: -243.146
Base-Backbone interact. energy: -1.436
local terms energy: -251.332797
where:
bonds (distance) C4'-P energy: -46.983
bonds (distance) P-C4' energy: -56.964
flat angles C4'-P-C4' energy: -52.628
flat angles P-C4'-P energy: -38.829
tors. eta vs tors. theta energy: -55.929
Dist. restrs. and SS energy: 17.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -1230.009178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.009178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.993273 (E_RNA)
where:
Base-Base interactions energy: -878.062
where: short stacking energy: -332.970
Base-Backbone interact. energy: -2.392
local terms energy: -352.539417
where:
bonds (distance) C4'-P energy: -56.531
bonds (distance) P-C4' energy: -76.135
flat angles C4'-P-C4' energy: -67.775
flat angles P-C4'-P energy: -55.337
tors. eta vs tors. theta energy: -96.761
Dist. restrs. and SS energy: 2.984 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -1172.130654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.130654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.297040 (E_RNA)
where:
Base-Base interactions energy: -818.278
where: short stacking energy: -324.838
Base-Backbone interact. energy: -1.844
local terms energy: -355.175969
where:
bonds (distance) C4'-P energy: -69.046
bonds (distance) P-C4' energy: -68.627
flat angles C4'-P-C4' energy: -75.745
flat angles P-C4'-P energy: -49.057
tors. eta vs tors. theta energy: -92.701
Dist. restrs. and SS energy: 3.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -1119.948274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.948274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.253893 (E_RNA)
where:
Base-Base interactions energy: -772.548
where: short stacking energy: -316.921
Base-Backbone interact. energy: -0.767
local terms energy: -349.938661
where:
bonds (distance) C4'-P energy: -66.829
bonds (distance) P-C4' energy: -67.768
flat angles C4'-P-C4' energy: -78.834
flat angles P-C4'-P energy: -41.100
tors. eta vs tors. theta energy: -95.408
Dist. restrs. and SS energy: 3.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -1093.108482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.108482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.759963 (E_RNA)
where:
Base-Base interactions energy: -763.811
where: short stacking energy: -294.354
Base-Backbone interact. energy: -1.689
local terms energy: -332.259832
where:
bonds (distance) C4'-P energy: -58.385
bonds (distance) P-C4' energy: -71.656
flat angles C4'-P-C4' energy: -77.917
flat angles P-C4'-P energy: -43.452
tors. eta vs tors. theta energy: -80.850
Dist. restrs. and SS energy: 4.651 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -1056.414162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.414162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.866231 (E_RNA)
where:
Base-Base interactions energy: -748.539
where: short stacking energy: -310.923
Base-Backbone interact. energy: -1.432
local terms energy: -309.895722
where:
bonds (distance) C4'-P energy: -63.459
bonds (distance) P-C4' energy: -54.633
flat angles C4'-P-C4' energy: -65.791
flat angles P-C4'-P energy: -42.767
tors. eta vs tors. theta energy: -83.246
Dist. restrs. and SS energy: 3.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -984.087799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.087799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.762265 (E_RNA)
where:
Base-Base interactions energy: -684.567
where: short stacking energy: -276.530
Base-Backbone interact. energy: -2.783
local terms energy: -300.411922
where:
bonds (distance) C4'-P energy: -64.992
bonds (distance) P-C4' energy: -61.949
flat angles C4'-P-C4' energy: -56.517
flat angles P-C4'-P energy: -41.472
tors. eta vs tors. theta energy: -75.482
Dist. restrs. and SS energy: 3.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -920.352673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.352673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.859721 (E_RNA)
where:
Base-Base interactions energy: -634.063
where: short stacking energy: -253.035
Base-Backbone interact. energy: -1.500
local terms energy: -290.296760
where:
bonds (distance) C4'-P energy: -49.472
bonds (distance) P-C4' energy: -65.849
flat angles C4'-P-C4' energy: -68.399
flat angles P-C4'-P energy: -37.906
tors. eta vs tors. theta energy: -68.670
Dist. restrs. and SS energy: 5.507 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -900.707460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.707460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.247474 (E_RNA)
where:
Base-Base interactions energy: -615.908
where: short stacking energy: -240.373
Base-Backbone interact. energy: -2.153
local terms energy: -287.186813
where:
bonds (distance) C4'-P energy: -55.268
bonds (distance) P-C4' energy: -67.356
flat angles C4'-P-C4' energy: -64.971
flat angles P-C4'-P energy: -42.242
tors. eta vs tors. theta energy: -57.350
Dist. restrs. and SS energy: 4.540 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -896.285960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.285960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.309335 (E_RNA)
where:
Base-Base interactions energy: -617.978
where: short stacking energy: -231.515
Base-Backbone interact. energy: 0.604
local terms energy: -282.934906
where:
bonds (distance) C4'-P energy: -59.406
bonds (distance) P-C4' energy: -55.779
flat angles C4'-P-C4' energy: -73.165
flat angles P-C4'-P energy: -51.758
tors. eta vs tors. theta energy: -42.826
Dist. restrs. and SS energy: 4.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -829.124157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.124157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.794404 (E_RNA)
where:
Base-Base interactions energy: -599.938
where: short stacking energy: -225.544
Base-Backbone interact. energy: -0.245
local terms energy: -238.610722
where:
bonds (distance) C4'-P energy: -50.345
bonds (distance) P-C4' energy: -50.931
flat angles C4'-P-C4' energy: -63.360
flat angles P-C4'-P energy: -22.819
tors. eta vs tors. theta energy: -51.156
Dist. restrs. and SS energy: 9.670 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -1240.118780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.118780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.136026 (E_RNA)
where:
Base-Base interactions energy: -883.004
where: short stacking energy: -345.068
Base-Backbone interact. energy: -0.145
local terms energy: -359.986473
where:
bonds (distance) C4'-P energy: -66.796
bonds (distance) P-C4' energy: -66.090
flat angles C4'-P-C4' energy: -74.567
flat angles P-C4'-P energy: -56.951
tors. eta vs tors. theta energy: -95.582
Dist. restrs. and SS energy: 3.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -1150.091547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.091547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.347668 (E_RNA)
where:
Base-Base interactions energy: -803.946
where: short stacking energy: -339.329
Base-Backbone interact. energy: -1.891
local terms energy: -347.510217
where:
bonds (distance) C4'-P energy: -67.878
bonds (distance) P-C4' energy: -65.450
flat angles C4'-P-C4' energy: -70.519
flat angles P-C4'-P energy: -45.259
tors. eta vs tors. theta energy: -98.404
Dist. restrs. and SS energy: 3.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -1142.410391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.410391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.455799 (E_RNA)
where:
Base-Base interactions energy: -817.417
where: short stacking energy: -319.358
Base-Backbone interact. energy: 0.537
local terms energy: -328.574949
where:
bonds (distance) C4'-P energy: -61.548
bonds (distance) P-C4' energy: -57.810
flat angles C4'-P-C4' energy: -67.566
flat angles P-C4'-P energy: -56.292
tors. eta vs tors. theta energy: -85.358
Dist. restrs. and SS energy: 3.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -1077.117620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.117620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.574993 (E_RNA)
where:
Base-Base interactions energy: -752.091
where: short stacking energy: -307.216
Base-Backbone interact. energy: 0.293
local terms energy: -328.777339
where:
bonds (distance) C4'-P energy: -69.151
bonds (distance) P-C4' energy: -58.705
flat angles C4'-P-C4' energy: -71.750
flat angles P-C4'-P energy: -48.651
tors. eta vs tors. theta energy: -80.521
Dist. restrs. and SS energy: 3.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -1054.541097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.541097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.084571 (E_RNA)
where:
Base-Base interactions energy: -737.066
where: short stacking energy: -293.816
Base-Backbone interact. energy: 1.086
local terms energy: -323.104832
where:
bonds (distance) C4'-P energy: -64.434
bonds (distance) P-C4' energy: -58.179
flat angles C4'-P-C4' energy: -66.656
flat angles P-C4'-P energy: -47.586
tors. eta vs tors. theta energy: -86.251
Dist. restrs. and SS energy: 4.543 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -978.218419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.218419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.175022 (E_RNA)
where:
Base-Base interactions energy: -697.723
where: short stacking energy: -280.629
Base-Backbone interact. energy: -2.699
local terms energy: -280.753376
where:
bonds (distance) C4'-P energy: -64.269
bonds (distance) P-C4' energy: -56.313
flat angles C4'-P-C4' energy: -53.968
flat angles P-C4'-P energy: -31.646
tors. eta vs tors. theta energy: -74.558
Dist. restrs. and SS energy: 2.957 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -949.672824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.672824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.815277 (E_RNA)
where:
Base-Base interactions energy: -676.067
where: short stacking energy: -266.993
Base-Backbone interact. energy: -3.055
local terms energy: -278.693514
where:
bonds (distance) C4'-P energy: -58.374
bonds (distance) P-C4' energy: -43.455
flat angles C4'-P-C4' energy: -71.265
flat angles P-C4'-P energy: -36.269
tors. eta vs tors. theta energy: -69.330
Dist. restrs. and SS energy: 8.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -896.126846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.126846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.944848 (E_RNA)
where:
Base-Base interactions energy: -639.465
where: short stacking energy: -252.668
Base-Backbone interact. energy: -0.803
local terms energy: -259.676420
where:
bonds (distance) C4'-P energy: -61.834
bonds (distance) P-C4' energy: -58.523
flat angles C4'-P-C4' energy: -55.215
flat angles P-C4'-P energy: -33.864
tors. eta vs tors. theta energy: -50.241
Dist. restrs. and SS energy: 3.818 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -863.455245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.455245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.579921 (E_RNA)
where:
Base-Base interactions energy: -597.345
where: short stacking energy: -224.590
Base-Backbone interact. energy: -0.455
local terms energy: -270.780317
where:
bonds (distance) C4'-P energy: -57.646
bonds (distance) P-C4' energy: -55.996
flat angles C4'-P-C4' energy: -62.404
flat angles P-C4'-P energy: -45.439
tors. eta vs tors. theta energy: -49.295
Dist. restrs. and SS energy: 5.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -856.761292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.761292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.553809 (E_RNA)
where:
Base-Base interactions energy: -597.863
where: short stacking energy: -231.868
Base-Backbone interact. energy: -2.365
local terms energy: -260.326016
where:
bonds (distance) C4'-P energy: -50.137
bonds (distance) P-C4' energy: -54.939
flat angles C4'-P-C4' energy: -55.823
flat angles P-C4'-P energy: -40.283
tors. eta vs tors. theta energy: -59.145
Dist. restrs. and SS energy: 3.793 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -1211.369344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.369344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.917412 (E_RNA)
where:
Base-Base interactions energy: -879.555
where: short stacking energy: -343.012
Base-Backbone interact. energy: -1.515
local terms energy: -332.847003
where:
bonds (distance) C4'-P energy: -66.084
bonds (distance) P-C4' energy: -59.505
flat angles C4'-P-C4' energy: -64.451
flat angles P-C4'-P energy: -52.606
tors. eta vs tors. theta energy: -90.201
Dist. restrs. and SS energy: 2.548 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -1161.627433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.627433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.187301 (E_RNA)
where:
Base-Base interactions energy: -817.666
where: short stacking energy: -350.381
Base-Backbone interact. energy: -2.362
local terms energy: -345.159095
where:
bonds (distance) C4'-P energy: -64.112
bonds (distance) P-C4' energy: -60.992
flat angles C4'-P-C4' energy: -75.188
flat angles P-C4'-P energy: -42.268
tors. eta vs tors. theta energy: -102.598
Dist. restrs. and SS energy: 3.560 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -1106.794404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.794404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.545472 (E_RNA)
where:
Base-Base interactions energy: -781.729
where: short stacking energy: -302.441
Base-Backbone interact. energy: -3.658
local terms energy: -325.158764
where:
bonds (distance) C4'-P energy: -62.808
bonds (distance) P-C4' energy: -57.262
flat angles C4'-P-C4' energy: -71.184
flat angles P-C4'-P energy: -52.387
tors. eta vs tors. theta energy: -81.518
Dist. restrs. and SS energy: 3.751 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -1086.254309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.254309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.278740 (E_RNA)
where:
Base-Base interactions energy: -763.849
where: short stacking energy: -294.038
Base-Backbone interact. energy: -1.185
local terms energy: -324.244761
where:
bonds (distance) C4'-P energy: -56.156
bonds (distance) P-C4' energy: -61.923
flat angles C4'-P-C4' energy: -69.845
flat angles P-C4'-P energy: -50.404
tors. eta vs tors. theta energy: -85.916
Dist. restrs. and SS energy: 3.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -1054.334024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.334024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.366344 (E_RNA)
where:
Base-Base interactions energy: -751.779
where: short stacking energy: -298.153
Base-Backbone interact. energy: -1.052
local terms energy: -304.535876
where:
bonds (distance) C4'-P energy: -55.045
bonds (distance) P-C4' energy: -63.305
flat angles C4'-P-C4' energy: -74.213
flat angles P-C4'-P energy: -35.550
tors. eta vs tors. theta energy: -76.422
Dist. restrs. and SS energy: 3.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -966.416605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.416605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.916799 (E_RNA)
where:
Base-Base interactions energy: -695.845
where: short stacking energy: -268.368
Base-Backbone interact. energy: 0.505
local terms energy: -274.577111
where:
bonds (distance) C4'-P energy: -49.552
bonds (distance) P-C4' energy: -61.044
flat angles C4'-P-C4' energy: -67.653
flat angles P-C4'-P energy: -34.544
tors. eta vs tors. theta energy: -61.784
Dist. restrs. and SS energy: 3.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -900.931989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.931989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.818508 (E_RNA)
where:
Base-Base interactions energy: -619.577
where: short stacking energy: -245.030
Base-Backbone interact. energy: -0.663
local terms energy: -285.578434
where:
bonds (distance) C4'-P energy: -61.240
bonds (distance) P-C4' energy: -65.320
flat angles C4'-P-C4' energy: -60.536
flat angles P-C4'-P energy: -39.611
tors. eta vs tors. theta energy: -58.872
Dist. restrs. and SS energy: 4.887 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -892.523239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.523239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.588898 (E_RNA)
where:
Base-Base interactions energy: -640.995
where: short stacking energy: -245.803
Base-Backbone interact. energy: 0.328
local terms energy: -262.922260
where:
bonds (distance) C4'-P energy: -43.994
bonds (distance) P-C4' energy: -51.695
flat angles C4'-P-C4' energy: -71.986
flat angles P-C4'-P energy: -36.588
tors. eta vs tors. theta energy: -58.659
Dist. restrs. and SS energy: 11.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -885.291629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.291629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.174672 (E_RNA)
where:
Base-Base interactions energy: -632.720
where: short stacking energy: -246.643
Base-Backbone interact. energy: -1.438
local terms energy: -255.017074
where:
bonds (distance) C4'-P energy: -51.248
bonds (distance) P-C4' energy: -56.110
flat angles C4'-P-C4' energy: -55.818
flat angles P-C4'-P energy: -38.793
tors. eta vs tors. theta energy: -53.048
Dist. restrs. and SS energy: 3.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -826.928805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.928805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.869822 (E_RNA)
where:
Base-Base interactions energy: -596.459
where: short stacking energy: -229.139
Base-Backbone interact. energy: 0.648
local terms energy: -235.058838
where:
bonds (distance) C4'-P energy: -48.017
bonds (distance) P-C4' energy: -41.887
flat angles C4'-P-C4' energy: -65.154
flat angles P-C4'-P energy: -33.580
tors. eta vs tors. theta energy: -46.420
Dist. restrs. and SS energy: 3.941 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -1212.176834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.176834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.309446 (E_RNA)
where:
Base-Base interactions energy: -854.182
where: short stacking energy: -328.147
Base-Backbone interact. energy: -1.647
local terms energy: -359.480748
where:
bonds (distance) C4'-P energy: -74.222
bonds (distance) P-C4' energy: -69.707
flat angles C4'-P-C4' energy: -70.081
flat angles P-C4'-P energy: -53.898
tors. eta vs tors. theta energy: -91.573
Dist. restrs. and SS energy: 3.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -1182.553132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.553132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.030548 (E_RNA)
where:
Base-Base interactions energy: -835.386
where: short stacking energy: -330.037
Base-Backbone interact. energy: -1.894
local terms energy: -348.750255
where:
bonds (distance) C4'-P energy: -70.273
bonds (distance) P-C4' energy: -73.709
flat angles C4'-P-C4' energy: -61.350
flat angles P-C4'-P energy: -42.266
tors. eta vs tors. theta energy: -101.152
Dist. restrs. and SS energy: 3.477 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -1106.716744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.716744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.022563 (E_RNA)
where:
Base-Base interactions energy: -765.814
where: short stacking energy: -323.067
Base-Backbone interact. energy: -1.500
local terms energy: -342.708856
where:
bonds (distance) C4'-P energy: -58.698
bonds (distance) P-C4' energy: -66.945
flat angles C4'-P-C4' energy: -77.561
flat angles P-C4'-P energy: -45.216
tors. eta vs tors. theta energy: -94.289
Dist. restrs. and SS energy: 3.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -1063.381117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.381117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.945448 (E_RNA)
where:
Base-Base interactions energy: -756.756
where: short stacking energy: -302.813
Base-Backbone interact. energy: -0.141
local terms energy: -310.048391
where:
bonds (distance) C4'-P energy: -60.397
bonds (distance) P-C4' energy: -59.129
flat angles C4'-P-C4' energy: -74.696
flat angles P-C4'-P energy: -42.092
tors. eta vs tors. theta energy: -73.734
Dist. restrs. and SS energy: 3.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -1064.203896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.203896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.903531 (E_RNA)
where:
Base-Base interactions energy: -753.978
where: short stacking energy: -312.721
Base-Backbone interact. energy: 0.268
local terms energy: -314.193185
where:
bonds (distance) C4'-P energy: -58.391
bonds (distance) P-C4' energy: -49.465
flat angles C4'-P-C4' energy: -65.551
flat angles P-C4'-P energy: -50.599
tors. eta vs tors. theta energy: -90.187
Dist. restrs. and SS energy: 3.700 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -997.128832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.128832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.903525 (E_RNA)
where:
Base-Base interactions energy: -700.655
where: short stacking energy: -285.051
Base-Backbone interact. energy: -0.019
local terms energy: -301.230097
where:
bonds (distance) C4'-P energy: -54.285
bonds (distance) P-C4' energy: -59.283
flat angles C4'-P-C4' energy: -77.891
flat angles P-C4'-P energy: -40.891
tors. eta vs tors. theta energy: -68.880
Dist. restrs. and SS energy: 4.775 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -976.974313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.974313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.248357 (E_RNA)
where:
Base-Base interactions energy: -690.086
where: short stacking energy: -268.503
Base-Backbone interact. energy: 1.624
local terms energy: -291.786965
where:
bonds (distance) C4'-P energy: -48.547
bonds (distance) P-C4' energy: -60.264
flat angles C4'-P-C4' energy: -65.536
flat angles P-C4'-P energy: -49.970
tors. eta vs tors. theta energy: -67.470
Dist. restrs. and SS energy: 3.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -892.021012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.021012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.368841 (E_RNA)
where:
Base-Base interactions energy: -622.643
where: short stacking energy: -247.121
Base-Backbone interact. energy: 4.108
local terms energy: -278.833958
where:
bonds (distance) C4'-P energy: -56.611
bonds (distance) P-C4' energy: -62.450
flat angles C4'-P-C4' energy: -57.345
flat angles P-C4'-P energy: -41.583
tors. eta vs tors. theta energy: -60.845
Dist. restrs. and SS energy: 5.348 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -908.901139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.901139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.868053 (E_RNA)
where:
Base-Base interactions energy: -638.722
where: short stacking energy: -251.997
Base-Backbone interact. energy: -2.242
local terms energy: -273.903870
where:
bonds (distance) C4'-P energy: -54.901
bonds (distance) P-C4' energy: -65.144
flat angles C4'-P-C4' energy: -64.080
flat angles P-C4'-P energy: -34.309
tors. eta vs tors. theta energy: -55.470
Dist. restrs. and SS energy: 5.967 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -813.136197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.136197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.264125 (E_RNA)
where:
Base-Base interactions energy: -562.196
where: short stacking energy: -222.075
Base-Backbone interact. energy: 6.454
local terms energy: -266.522091
where:
bonds (distance) C4'-P energy: -62.572
bonds (distance) P-C4' energy: -56.143
flat angles C4'-P-C4' energy: -67.208
flat angles P-C4'-P energy: -40.659
tors. eta vs tors. theta energy: -39.939
Dist. restrs. and SS energy: 9.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -1252.860053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.860053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.942967 (E_RNA)
where:
Base-Base interactions energy: -892.225
where: short stacking energy: -345.135
Base-Backbone interact. energy: -4.293
local terms energy: -359.424196
where:
bonds (distance) C4'-P energy: -70.652
bonds (distance) P-C4' energy: -58.777
flat angles C4'-P-C4' energy: -79.049
flat angles P-C4'-P energy: -53.975
tors. eta vs tors. theta energy: -96.970
Dist. restrs. and SS energy: 3.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -1154.276647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.276647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.497869 (E_RNA)
where:
Base-Base interactions energy: -813.641
where: short stacking energy: -326.573
Base-Backbone interact. energy: 0.950
local terms energy: -344.806613
where:
bonds (distance) C4'-P energy: -62.260
bonds (distance) P-C4' energy: -63.264
flat angles C4'-P-C4' energy: -76.221
flat angles P-C4'-P energy: -51.903
tors. eta vs tors. theta energy: -91.159
Dist. restrs. and SS energy: 3.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -1104.460931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.460931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.402486 (E_RNA)
where:
Base-Base interactions energy: -768.341
where: short stacking energy: -302.432
Base-Backbone interact. energy: 0.180
local terms energy: -339.240954
where:
bonds (distance) C4'-P energy: -72.708
bonds (distance) P-C4' energy: -65.715
flat angles C4'-P-C4' energy: -75.115
flat angles P-C4'-P energy: -41.536
tors. eta vs tors. theta energy: -84.167
Dist. restrs. and SS energy: 2.942 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -1092.529130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.529130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.747971 (E_RNA)
where:
Base-Base interactions energy: -754.528
where: short stacking energy: -307.386
Base-Backbone interact. energy: -1.347
local terms energy: -340.872852
where:
bonds (distance) C4'-P energy: -64.354
bonds (distance) P-C4' energy: -70.243
flat angles C4'-P-C4' energy: -74.359
flat angles P-C4'-P energy: -45.920
tors. eta vs tors. theta energy: -85.997
Dist. restrs. and SS energy: 4.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -1056.838049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.838049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.913110 (E_RNA)
where:
Base-Base interactions energy: -751.533
where: short stacking energy: -310.282
Base-Backbone interact. energy: -0.697
local terms energy: -309.683785
where:
bonds (distance) C4'-P energy: -64.195
bonds (distance) P-C4' energy: -61.496
flat angles C4'-P-C4' energy: -69.263
flat angles P-C4'-P energy: -39.546
tors. eta vs tors. theta energy: -75.183
Dist. restrs. and SS energy: 5.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -982.071537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.071537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.735213 (E_RNA)
where:
Base-Base interactions energy: -706.518
where: short stacking energy: -271.951
Base-Backbone interact. energy: -1.542
local terms energy: -277.675194
where:
bonds (distance) C4'-P energy: -49.778
bonds (distance) P-C4' energy: -52.628
flat angles C4'-P-C4' energy: -66.070
flat angles P-C4'-P energy: -44.084
tors. eta vs tors. theta energy: -65.115
Dist. restrs. and SS energy: 3.664 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -921.145806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.145806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.008951 (E_RNA)
where:
Base-Base interactions energy: -639.139
where: short stacking energy: -242.141
Base-Backbone interact. energy: -1.452
local terms energy: -283.418342
where:
bonds (distance) C4'-P energy: -52.071
bonds (distance) P-C4' energy: -51.441
flat angles C4'-P-C4' energy: -73.815
flat angles P-C4'-P energy: -51.580
tors. eta vs tors. theta energy: -54.510
Dist. restrs. and SS energy: 2.863 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -924.684998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.684998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.017916 (E_RNA)
where:
Base-Base interactions energy: -648.512
where: short stacking energy: -248.005
Base-Backbone interact. energy: -0.714
local terms energy: -284.792085
where:
bonds (distance) C4'-P energy: -49.885
bonds (distance) P-C4' energy: -52.401
flat angles C4'-P-C4' energy: -71.654
flat angles P-C4'-P energy: -41.427
tors. eta vs tors. theta energy: -69.425
Dist. restrs. and SS energy: 9.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -862.384936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.384936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.000041 (E_RNA)
where:
Base-Base interactions energy: -619.180
where: short stacking energy: -243.475
Base-Backbone interact. energy: 0.613
local terms energy: -249.432146
where:
bonds (distance) C4'-P energy: -43.498
bonds (distance) P-C4' energy: -54.250
flat angles C4'-P-C4' energy: -59.501
flat angles P-C4'-P energy: -36.028
tors. eta vs tors. theta energy: -56.155
Dist. restrs. and SS energy: 5.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -846.461236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.461236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.906874 (E_RNA)
where:
Base-Base interactions energy: -584.801
where: short stacking energy: -228.204
Base-Backbone interact. energy: 2.367
local terms energy: -269.472319
where:
bonds (distance) C4'-P energy: -39.552
bonds (distance) P-C4' energy: -67.431
flat angles C4'-P-C4' energy: -69.787
flat angles P-C4'-P energy: -37.202
tors. eta vs tors. theta energy: -55.501
Dist. restrs. and SS energy: 5.446 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -1247.431583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.431583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.913399 (E_RNA)
where:
Base-Base interactions energy: -889.944
where: short stacking energy: -340.714
Base-Backbone interact. energy: 2.264
local terms energy: -363.233057
where:
bonds (distance) C4'-P energy: -71.235
bonds (distance) P-C4' energy: -67.279
flat angles C4'-P-C4' energy: -77.141
flat angles P-C4'-P energy: -53.688
tors. eta vs tors. theta energy: -93.890
Dist. restrs. and SS energy: 3.482 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -1173.931530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.931530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.523699 (E_RNA)
where:
Base-Base interactions energy: -820.829
where: short stacking energy: -326.357
Base-Backbone interact. energy: -2.420
local terms energy: -354.274258
where:
bonds (distance) C4'-P energy: -69.701
bonds (distance) P-C4' energy: -65.491
flat angles C4'-P-C4' energy: -73.096
flat angles P-C4'-P energy: -51.197
tors. eta vs tors. theta energy: -94.789
Dist. restrs. and SS energy: 3.592 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -1077.093472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.093472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.318299 (E_RNA)
where:
Base-Base interactions energy: -758.831
where: short stacking energy: -295.779
Base-Backbone interact. energy: -0.622
local terms energy: -321.865527
where:
bonds (distance) C4'-P energy: -60.235
bonds (distance) P-C4' energy: -60.197
flat angles C4'-P-C4' energy: -67.745
flat angles P-C4'-P energy: -47.389
tors. eta vs tors. theta energy: -86.299
Dist. restrs. and SS energy: 4.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -1094.393389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.393389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.404910 (E_RNA)
where:
Base-Base interactions energy: -780.724
where: short stacking energy: -311.728
Base-Backbone interact. energy: 0.868
local terms energy: -317.548610
where:
bonds (distance) C4'-P energy: -58.710
bonds (distance) P-C4' energy: -66.452
flat angles C4'-P-C4' energy: -73.371
flat angles P-C4'-P energy: -36.859
tors. eta vs tors. theta energy: -82.158
Dist. restrs. and SS energy: 3.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -1054.047951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.047951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.315998 (E_RNA)
where:
Base-Base interactions energy: -750.849
where: short stacking energy: -303.914
Base-Backbone interact. energy: -0.752
local terms energy: -305.714901
where:
bonds (distance) C4'-P energy: -57.827
bonds (distance) P-C4' energy: -60.220
flat angles C4'-P-C4' energy: -62.467
flat angles P-C4'-P energy: -44.815
tors. eta vs tors. theta energy: -80.387
Dist. restrs. and SS energy: 3.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -991.178795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.178795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.574369 (E_RNA)
where:
Base-Base interactions energy: -698.487
where: short stacking energy: -300.589
Base-Backbone interact. energy: -0.676
local terms energy: -297.411684
where:
bonds (distance) C4'-P energy: -61.138
bonds (distance) P-C4' energy: -47.129
flat angles C4'-P-C4' energy: -74.159
flat angles P-C4'-P energy: -41.567
tors. eta vs tors. theta energy: -73.419
Dist. restrs. and SS energy: 5.396 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -960.950788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.950788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.689206 (E_RNA)
where:
Base-Base interactions energy: -675.548
where: short stacking energy: -266.864
Base-Backbone interact. energy: -1.792
local terms energy: -287.349673
where:
bonds (distance) C4'-P energy: -59.721
bonds (distance) P-C4' energy: -52.346
flat angles C4'-P-C4' energy: -58.809
flat angles P-C4'-P energy: -48.061
tors. eta vs tors. theta energy: -68.413
Dist. restrs. and SS energy: 3.738 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -920.354210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.354210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.621289 (E_RNA)
where:
Base-Base interactions energy: -661.269
where: short stacking energy: -258.659
Base-Backbone interact. energy: -2.043
local terms energy: -261.309329
where:
bonds (distance) C4'-P energy: -55.418
bonds (distance) P-C4' energy: -48.535
flat angles C4'-P-C4' energy: -68.193
flat angles P-C4'-P energy: -33.545
tors. eta vs tors. theta energy: -55.618
Dist. restrs. and SS energy: 4.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -843.670081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.670081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.397126 (E_RNA)
where:
Base-Base interactions energy: -587.688
where: short stacking energy: -239.437
Base-Backbone interact. energy: -0.920
local terms energy: -262.789597
where:
bonds (distance) C4'-P energy: -62.039
bonds (distance) P-C4' energy: -57.235
flat angles C4'-P-C4' energy: -58.389
flat angles P-C4'-P energy: -37.754
tors. eta vs tors. theta energy: -47.372
Dist. restrs. and SS energy: 7.727 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -845.606950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.606950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.695020 (E_RNA)
where:
Base-Base interactions energy: -593.169
where: short stacking energy: -239.042
Base-Backbone interact. energy: -1.009
local terms energy: -260.516476
where:
bonds (distance) C4'-P energy: -53.197
bonds (distance) P-C4' energy: -54.956
flat angles C4'-P-C4' energy: -57.227
flat angles P-C4'-P energy: -34.873
tors. eta vs tors. theta energy: -60.264
Dist. restrs. and SS energy: 9.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -1254.557680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.557680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.148274 (E_RNA)
where:
Base-Base interactions energy: -880.614
where: short stacking energy: -340.919
Base-Backbone interact. energy: -3.290
local terms energy: -373.244049
where:
bonds (distance) C4'-P energy: -73.284
bonds (distance) P-C4' energy: -69.860
flat angles C4'-P-C4' energy: -81.314
flat angles P-C4'-P energy: -48.725
tors. eta vs tors. theta energy: -100.060
Dist. restrs. and SS energy: 2.591 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -1190.576075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.576075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.860411 (E_RNA)
where:
Base-Base interactions energy: -828.721
where: short stacking energy: -345.764
Base-Backbone interact. energy: -2.980
local terms energy: -362.159942
where:
bonds (distance) C4'-P energy: -61.997
bonds (distance) P-C4' energy: -72.981
flat angles C4'-P-C4' energy: -71.206
flat angles P-C4'-P energy: -58.419
tors. eta vs tors. theta energy: -97.557
Dist. restrs. and SS energy: 3.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -1114.893440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.893440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.141138 (E_RNA)
where:
Base-Base interactions energy: -779.526
where: short stacking energy: -318.879
Base-Backbone interact. energy: -2.105
local terms energy: -336.510419
where:
bonds (distance) C4'-P energy: -59.697
bonds (distance) P-C4' energy: -71.677
flat angles C4'-P-C4' energy: -71.136
flat angles P-C4'-P energy: -46.463
tors. eta vs tors. theta energy: -87.538
Dist. restrs. and SS energy: 3.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -1086.104884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.104884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.738075 (E_RNA)
where:
Base-Base interactions energy: -749.968
where: short stacking energy: -309.117
Base-Backbone interact. energy: -1.416
local terms energy: -338.353563
where:
bonds (distance) C4'-P energy: -63.002
bonds (distance) P-C4' energy: -58.228
flat angles C4'-P-C4' energy: -73.607
flat angles P-C4'-P energy: -51.388
tors. eta vs tors. theta energy: -92.129
Dist. restrs. and SS energy: 3.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -1046.371401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.371401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.675312 (E_RNA)
where:
Base-Base interactions energy: -716.752
where: short stacking energy: -297.785
Base-Backbone interact. energy: 2.887
local terms energy: -335.810396
where:
bonds (distance) C4'-P energy: -65.629
bonds (distance) P-C4' energy: -71.532
flat angles C4'-P-C4' energy: -65.445
flat angles P-C4'-P energy: -54.447
tors. eta vs tors. theta energy: -78.758
Dist. restrs. and SS energy: 3.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -964.461295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.461295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.896507 (E_RNA)
where:
Base-Base interactions energy: -686.229
where: short stacking energy: -255.792
Base-Backbone interact. energy: -0.544
local terms energy: -282.124462
where:
bonds (distance) C4'-P energy: -66.967
bonds (distance) P-C4' energy: -63.891
flat angles C4'-P-C4' energy: -52.285
flat angles P-C4'-P energy: -35.817
tors. eta vs tors. theta energy: -63.164
Dist. restrs. and SS energy: 4.435 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -910.122041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.122041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.679473 (E_RNA)
where:
Base-Base interactions energy: -652.300
where: short stacking energy: -260.093
Base-Backbone interact. energy: -1.286
local terms energy: -260.092837
where:
bonds (distance) C4'-P energy: -56.540
bonds (distance) P-C4' energy: -48.731
flat angles C4'-P-C4' energy: -56.061
flat angles P-C4'-P energy: -35.501
tors. eta vs tors. theta energy: -63.260
Dist. restrs. and SS energy: 3.557 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -980.106638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.106638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.318903 (E_RNA)
where:
Base-Base interactions energy: -709.309
where: short stacking energy: -273.294
Base-Backbone interact. energy: 3.223
local terms energy: -280.232998
where:
bonds (distance) C4'-P energy: -39.699
bonds (distance) P-C4' energy: -61.489
flat angles C4'-P-C4' energy: -58.718
flat angles P-C4'-P energy: -40.053
tors. eta vs tors. theta energy: -80.275
Dist. restrs. and SS energy: 6.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -850.322131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.322131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.279014 (E_RNA)
where:
Base-Base interactions energy: -610.728
where: short stacking energy: -223.888
Base-Backbone interact. energy: -0.006
local terms energy: -251.545292
where:
bonds (distance) C4'-P energy: -51.386
bonds (distance) P-C4' energy: -54.586
flat angles C4'-P-C4' energy: -57.905
flat angles P-C4'-P energy: -33.535
tors. eta vs tors. theta energy: -54.134
Dist. restrs. and SS energy: 11.957 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -799.975228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.975228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.467621 (E_RNA)
where:
Base-Base interactions energy: -561.143
where: short stacking energy: -218.212
Base-Backbone interact. energy: 1.467
local terms energy: -247.792130
where:
bonds (distance) C4'-P energy: -53.377
bonds (distance) P-C4' energy: -67.124
flat angles C4'-P-C4' energy: -48.074
flat angles P-C4'-P energy: -32.004
tors. eta vs tors. theta energy: -47.213
Dist. restrs. and SS energy: 7.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -1244.695398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.695398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.500951 (E_RNA)
where:
Base-Base interactions energy: -895.562
where: short stacking energy: -328.027
Base-Backbone interact. energy: 4.562
local terms energy: -356.500059
where:
bonds (distance) C4'-P energy: -66.006
bonds (distance) P-C4' energy: -69.067
flat angles C4'-P-C4' energy: -79.906
flat angles P-C4'-P energy: -50.643
tors. eta vs tors. theta energy: -90.877
Dist. restrs. and SS energy: 2.806 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -1167.516253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.516253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.512192 (E_RNA)
where:
Base-Base interactions energy: -809.835
where: short stacking energy: -319.355
Base-Backbone interact. energy: -2.559
local terms energy: -358.118665
where:
bonds (distance) C4'-P energy: -65.527
bonds (distance) P-C4' energy: -67.328
flat angles C4'-P-C4' energy: -78.061
flat angles P-C4'-P energy: -50.018
tors. eta vs tors. theta energy: -97.184
Dist. restrs. and SS energy: 2.996 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -1097.871832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.871832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.963938 (E_RNA)
where:
Base-Base interactions energy: -777.038
where: short stacking energy: -317.440
Base-Backbone interact. energy: 4.265
local terms energy: -330.191149
where:
bonds (distance) C4'-P energy: -56.868
bonds (distance) P-C4' energy: -53.622
flat angles C4'-P-C4' energy: -75.668
flat angles P-C4'-P energy: -51.665
tors. eta vs tors. theta energy: -92.369
Dist. restrs. and SS energy: 5.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -1054.676530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.676530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.007751 (E_RNA)
where:
Base-Base interactions energy: -720.836
where: short stacking energy: -297.601
Base-Backbone interact. energy: -1.677
local terms energy: -336.495242
where:
bonds (distance) C4'-P energy: -60.009
bonds (distance) P-C4' energy: -68.272
flat angles C4'-P-C4' energy: -70.625
flat angles P-C4'-P energy: -48.288
tors. eta vs tors. theta energy: -89.301
Dist. restrs. and SS energy: 4.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -1037.829650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.829650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.862187 (E_RNA)
where:
Base-Base interactions energy: -727.471
where: short stacking energy: -274.960
Base-Backbone interact. energy: 0.626
local terms energy: -314.016368
where:
bonds (distance) C4'-P energy: -59.186
bonds (distance) P-C4' energy: -60.103
flat angles C4'-P-C4' energy: -67.249
flat angles P-C4'-P energy: -48.821
tors. eta vs tors. theta energy: -78.657
Dist. restrs. and SS energy: 3.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -970.513406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.513406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.744335 (E_RNA)
where:
Base-Base interactions energy: -677.826
where: short stacking energy: -263.536
Base-Backbone interact. energy: -2.113
local terms energy: -294.805903
where:
bonds (distance) C4'-P energy: -56.313
bonds (distance) P-C4' energy: -62.201
flat angles C4'-P-C4' energy: -71.097
flat angles P-C4'-P energy: -46.156
tors. eta vs tors. theta energy: -59.038
Dist. restrs. and SS energy: 4.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -944.679438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.679438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.292368 (E_RNA)
where:
Base-Base interactions energy: -657.133
where: short stacking energy: -261.713
Base-Backbone interact. energy: -1.726
local terms energy: -290.433680
where:
bonds (distance) C4'-P energy: -56.067
bonds (distance) P-C4' energy: -57.154
flat angles C4'-P-C4' energy: -68.101
flat angles P-C4'-P energy: -50.427
tors. eta vs tors. theta energy: -58.685
Dist. restrs. and SS energy: 4.613 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -1000.269168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.269168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.212630 (E_RNA)
where:
Base-Base interactions energy: -702.860
where: short stacking energy: -291.778
Base-Backbone interact. energy: -2.762
local terms energy: -297.590324
where:
bonds (distance) C4'-P energy: -47.417
bonds (distance) P-C4' energy: -64.973
flat angles C4'-P-C4' energy: -66.321
flat angles P-C4'-P energy: -33.215
tors. eta vs tors. theta energy: -85.664
Dist. restrs. and SS energy: 2.943 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -847.639318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.639318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.059944 (E_RNA)
where:
Base-Base interactions energy: -589.822
where: short stacking energy: -224.768
Base-Backbone interact. energy: -2.874
local terms energy: -264.363333
where:
bonds (distance) C4'-P energy: -66.062
bonds (distance) P-C4' energy: -44.015
flat angles C4'-P-C4' energy: -62.798
flat angles P-C4'-P energy: -41.876
tors. eta vs tors. theta energy: -49.612
Dist. restrs. and SS energy: 9.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -803.698306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.698306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.960049 (E_RNA)
where:
Base-Base interactions energy: -559.140
where: short stacking energy: -217.354
Base-Backbone interact. energy: -1.534
local terms energy: -252.285523
where:
bonds (distance) C4'-P energy: -56.191
bonds (distance) P-C4' energy: -54.641
flat angles C4'-P-C4' energy: -55.577
flat angles P-C4'-P energy: -27.373
tors. eta vs tors. theta energy: -58.503
Dist. restrs. and SS energy: 9.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -1248.761984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.761984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.523256 (E_RNA)
where:
Base-Base interactions energy: -891.018
where: short stacking energy: -330.869
Base-Backbone interact. energy: -0.910
local terms energy: -359.595217
where:
bonds (distance) C4'-P energy: -62.821
bonds (distance) P-C4' energy: -72.270
flat angles C4'-P-C4' energy: -82.650
flat angles P-C4'-P energy: -52.553
tors. eta vs tors. theta energy: -89.302
Dist. restrs. and SS energy: 2.761 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -1196.674333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.674333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.349501 (E_RNA)
where:
Base-Base interactions energy: -844.352
where: short stacking energy: -336.528
Base-Backbone interact. energy: -1.534
local terms energy: -354.463951
where:
bonds (distance) C4'-P energy: -69.153
bonds (distance) P-C4' energy: -56.263
flat angles C4'-P-C4' energy: -78.545
flat angles P-C4'-P energy: -53.921
tors. eta vs tors. theta energy: -96.581
Dist. restrs. and SS energy: 3.675 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -1102.326842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.326842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.423354 (E_RNA)
where:
Base-Base interactions energy: -773.263
where: short stacking energy: -321.591
Base-Backbone interact. energy: 0.453
local terms energy: -332.612763
where:
bonds (distance) C4'-P energy: -51.313
bonds (distance) P-C4' energy: -65.583
flat angles C4'-P-C4' energy: -78.633
flat angles P-C4'-P energy: -50.481
tors. eta vs tors. theta energy: -86.603
Dist. restrs. and SS energy: 3.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -1073.083656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.083656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.531298 (E_RNA)
where:
Base-Base interactions energy: -721.178
where: short stacking energy: -304.891
Base-Backbone interact. energy: -0.672
local terms energy: -354.681556
where:
bonds (distance) C4'-P energy: -71.386
bonds (distance) P-C4' energy: -72.032
flat angles C4'-P-C4' energy: -72.175
flat angles P-C4'-P energy: -48.636
tors. eta vs tors. theta energy: -90.453
Dist. restrs. and SS energy: 3.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -1053.238023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.238023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.404438 (E_RNA)
where:
Base-Base interactions energy: -717.147
where: short stacking energy: -292.951
Base-Backbone interact. energy: -1.921
local terms energy: -337.335750
where:
bonds (distance) C4'-P energy: -59.673
bonds (distance) P-C4' energy: -66.284
flat angles C4'-P-C4' energy: -74.157
flat angles P-C4'-P energy: -49.682
tors. eta vs tors. theta energy: -87.540
Dist. restrs. and SS energy: 3.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -966.802658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.802658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.895009 (E_RNA)
where:
Base-Base interactions energy: -668.902
where: short stacking energy: -253.493
Base-Backbone interact. energy: -1.609
local terms energy: -299.383542
where:
bonds (distance) C4'-P energy: -61.351
bonds (distance) P-C4' energy: -57.136
flat angles C4'-P-C4' energy: -70.096
flat angles P-C4'-P energy: -45.299
tors. eta vs tors. theta energy: -65.501
Dist. restrs. and SS energy: 3.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -961.340875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.340875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.400296 (E_RNA)
where:
Base-Base interactions energy: -675.924
where: short stacking energy: -273.469
Base-Backbone interact. energy: -1.418
local terms energy: -288.058440
where:
bonds (distance) C4'-P energy: -54.096
bonds (distance) P-C4' energy: -51.744
flat angles C4'-P-C4' energy: -69.574
flat angles P-C4'-P energy: -45.178
tors. eta vs tors. theta energy: -67.466
Dist. restrs. and SS energy: 4.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -886.283453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.283453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.504857 (E_RNA)
where:
Base-Base interactions energy: -602.770
where: short stacking energy: -221.929
Base-Backbone interact. energy: -1.953
local terms energy: -287.782173
where:
bonds (distance) C4'-P energy: -57.992
bonds (distance) P-C4' energy: -62.868
flat angles C4'-P-C4' energy: -68.501
flat angles P-C4'-P energy: -41.321
tors. eta vs tors. theta energy: -57.101
Dist. restrs. and SS energy: 6.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -857.976210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.976210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.168826 (E_RNA)
where:
Base-Base interactions energy: -646.940
where: short stacking energy: -234.559
Base-Backbone interact. energy: 6.045
local terms energy: -224.273514
where:
bonds (distance) C4'-P energy: -46.846
bonds (distance) P-C4' energy: -58.984
flat angles C4'-P-C4' energy: -49.224
flat angles P-C4'-P energy: -24.976
tors. eta vs tors. theta energy: -44.244
Dist. restrs. and SS energy: 7.193 (S_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: 98
Temperature: 1.350000
Total energy: -828.816623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.816623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.812564 (E_RNA)
where:
Base-Base interactions energy: -592.189
where: short stacking energy: -221.463
Base-Backbone interact. energy: -2.730
local terms energy: -240.893523
where:
bonds (distance) C4'-P energy: -44.274
bonds (distance) P-C4' energy: -52.974
flat angles C4'-P-C4' energy: -53.105
flat angles P-C4'-P energy: -40.549
tors. eta vs tors. theta energy: -49.992
Dist. restrs. and SS energy: 6.996 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -1253.000891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.000891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.718065 (E_RNA)
where:
Base-Base interactions energy: -891.653
where: short stacking energy: -326.951
Base-Backbone interact. energy: -2.713
local terms energy: -361.351528
where:
bonds (distance) C4'-P energy: -67.372
bonds (distance) P-C4' energy: -74.392
flat angles C4'-P-C4' energy: -72.038
flat angles P-C4'-P energy: -55.756
tors. eta vs tors. theta energy: -91.794
Dist. restrs. and SS energy: 2.717 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -1175.098710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.098710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.608902 (E_RNA)
where:
Base-Base interactions energy: -827.191
where: short stacking energy: -307.596
Base-Backbone interact. energy: -1.956
local terms energy: -349.461905
where:
bonds (distance) C4'-P energy: -68.438
bonds (distance) P-C4' energy: -58.508
flat angles C4'-P-C4' energy: -75.503
flat angles P-C4'-P energy: -54.611
tors. eta vs tors. theta energy: -92.403
Dist. restrs. and SS energy: 3.510 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -1109.089484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.089484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.539433 (E_RNA)
where:
Base-Base interactions energy: -774.262
where: short stacking energy: -325.143
Base-Backbone interact. energy: -1.962
local terms energy: -336.315654
where:
bonds (distance) C4'-P energy: -65.493
bonds (distance) P-C4' energy: -56.747
flat angles C4'-P-C4' energy: -75.511
flat angles P-C4'-P energy: -48.881
tors. eta vs tors. theta energy: -89.684
Dist. restrs. and SS energy: 3.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -1082.153323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.153323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.964846 (E_RNA)
where:
Base-Base interactions energy: -754.102
where: short stacking energy: -301.278
Base-Backbone interact. energy: -1.053
local terms energy: -330.810311
where:
bonds (distance) C4'-P energy: -69.638
bonds (distance) P-C4' energy: -62.814
flat angles C4'-P-C4' energy: -75.075
flat angles P-C4'-P energy: -43.204
tors. eta vs tors. theta energy: -80.079
Dist. restrs. and SS energy: 3.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -1007.546797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.546797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.133577 (E_RNA)
where:
Base-Base interactions energy: -686.341
where: short stacking energy: -281.789
Base-Backbone interact. energy: -1.461
local terms energy: -323.330939
where:
bonds (distance) C4'-P energy: -68.485
bonds (distance) P-C4' energy: -60.834
flat angles C4'-P-C4' energy: -68.690
flat angles P-C4'-P energy: -47.000
tors. eta vs tors. theta energy: -78.323
Dist. restrs. and SS energy: 3.587 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -1006.453884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.453884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.449226 (E_RNA)
where:
Base-Base interactions energy: -696.059
where: short stacking energy: -281.204
Base-Backbone interact. energy: -1.106
local terms energy: -313.283349
where:
bonds (distance) C4'-P energy: -58.148
bonds (distance) P-C4' energy: -72.867
flat angles C4'-P-C4' energy: -61.943
flat angles P-C4'-P energy: -51.185
tors. eta vs tors. theta energy: -69.139
Dist. restrs. and SS energy: 3.995 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -941.964471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.964471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.950793 (E_RNA)
where:
Base-Base interactions energy: -659.424
where: short stacking energy: -242.758
Base-Backbone interact. energy: -1.372
local terms energy: -284.154883
where:
bonds (distance) C4'-P energy: -67.385
bonds (distance) P-C4' energy: -57.443
flat angles C4'-P-C4' energy: -67.991
flat angles P-C4'-P energy: -36.518
tors. eta vs tors. theta energy: -54.817
Dist. restrs. and SS energy: 2.986 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -886.878976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.878976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.280607 (E_RNA)
where:
Base-Base interactions energy: -620.139
where: short stacking energy: -239.000
Base-Backbone interact. energy: -1.227
local terms energy: -268.914311
where:
bonds (distance) C4'-P energy: -36.264
bonds (distance) P-C4' energy: -58.740
flat angles C4'-P-C4' energy: -69.203
flat angles P-C4'-P energy: -53.997
tors. eta vs tors. theta energy: -50.710
Dist. restrs. and SS energy: 3.402 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -847.157863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.157863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.182299 (E_RNA)
where:
Base-Base interactions energy: -608.296
where: short stacking energy: -238.676
Base-Backbone interact. energy: -1.707
local terms energy: -242.179466
where:
bonds (distance) C4'-P energy: -64.059
bonds (distance) P-C4' energy: -54.074
flat angles C4'-P-C4' energy: -47.041
flat angles P-C4'-P energy: -29.040
tors. eta vs tors. theta energy: -47.965
Dist. restrs. and SS energy: 5.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -812.071033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.071033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.572866 (E_RNA)
where:
Base-Base interactions energy: -565.639
where: short stacking energy: -229.453
Base-Backbone interact. energy: 2.336
local terms energy: -257.269406
where:
bonds (distance) C4'-P energy: -42.289
bonds (distance) P-C4' energy: -52.122
flat angles C4'-P-C4' energy: -61.691
flat angles P-C4'-P energy: -45.399
tors. eta vs tors. theta energy: -55.768
Dist. restrs. and SS energy: 8.502 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -1252.906964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.906964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.450727 (E_RNA)
where:
Base-Base interactions energy: -887.900
where: short stacking energy: -322.197
Base-Backbone interact. energy: -1.596
local terms energy: -365.955127
where:
bonds (distance) C4'-P energy: -72.101
bonds (distance) P-C4' energy: -69.765
flat angles C4'-P-C4' energy: -76.025
flat angles P-C4'-P energy: -57.819
tors. eta vs tors. theta energy: -90.245
Dist. restrs. and SS energy: 2.544 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -1181.039734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.039734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.804523 (E_RNA)
where:
Base-Base interactions energy: -834.084
where: short stacking energy: -335.939
Base-Backbone interact. energy: -1.098
local terms energy: -349.622870
where:
bonds (distance) C4'-P energy: -53.286
bonds (distance) P-C4' energy: -76.831
flat angles C4'-P-C4' energy: -78.232
flat angles P-C4'-P energy: -43.889
tors. eta vs tors. theta energy: -97.384
Dist. restrs. and SS energy: 3.765 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -1104.349067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.349067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.228033 (E_RNA)
where:
Base-Base interactions energy: -794.477
where: short stacking energy: -325.754
Base-Backbone interact. energy: -1.294
local terms energy: -311.456962
where:
bonds (distance) C4'-P energy: -53.282
bonds (distance) P-C4' energy: -59.570
flat angles C4'-P-C4' energy: -63.040
flat angles P-C4'-P energy: -46.769
tors. eta vs tors. theta energy: -88.796
Dist. restrs. and SS energy: 2.879 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -1071.251380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.251380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.663255 (E_RNA)
where:
Base-Base interactions energy: -738.604
where: short stacking energy: -296.619
Base-Backbone interact. energy: -2.749
local terms energy: -335.309772
where:
bonds (distance) C4'-P energy: -67.012
bonds (distance) P-C4' energy: -51.760
flat angles C4'-P-C4' energy: -73.738
flat angles P-C4'-P energy: -58.750
tors. eta vs tors. theta energy: -84.049
Dist. restrs. and SS energy: 5.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -1055.753635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.753635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.093494 (E_RNA)
where:
Base-Base interactions energy: -731.038
where: short stacking energy: -316.412
Base-Backbone interact. energy: -1.166
local terms energy: -327.890330
where:
bonds (distance) C4'-P energy: -71.998
bonds (distance) P-C4' energy: -61.107
flat angles C4'-P-C4' energy: -65.976
flat angles P-C4'-P energy: -43.617
tors. eta vs tors. theta energy: -85.192
Dist. restrs. and SS energy: 4.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -1032.771722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.771722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.184682 (E_RNA)
where:
Base-Base interactions energy: -709.097
where: short stacking energy: -272.512
Base-Backbone interact. energy: -0.912
local terms energy: -326.176372
where:
bonds (distance) C4'-P energy: -58.101
bonds (distance) P-C4' energy: -72.232
flat angles C4'-P-C4' energy: -74.383
flat angles P-C4'-P energy: -46.759
tors. eta vs tors. theta energy: -74.701
Dist. restrs. and SS energy: 3.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -948.052888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.052888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.497906 (E_RNA)
where:
Base-Base interactions energy: -668.706
where: short stacking energy: -268.191
Base-Backbone interact. energy: 0.385
local terms energy: -283.177418
where:
bonds (distance) C4'-P energy: -51.132
bonds (distance) P-C4' energy: -52.761
flat angles C4'-P-C4' energy: -68.773
flat angles P-C4'-P energy: -42.270
tors. eta vs tors. theta energy: -68.241
Dist. restrs. and SS energy: 3.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -883.489717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.489717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.983793 (E_RNA)
where:
Base-Base interactions energy: -633.424
where: short stacking energy: -251.345
Base-Backbone interact. energy: -2.445
local terms energy: -253.114635
where:
bonds (distance) C4'-P energy: -52.910
bonds (distance) P-C4' energy: -55.497
flat angles C4'-P-C4' energy: -53.144
flat angles P-C4'-P energy: -31.453
tors. eta vs tors. theta energy: -60.110
Dist. restrs. and SS energy: 5.494 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -832.197709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.197709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.053738 (E_RNA)
where:
Base-Base interactions energy: -595.108
where: short stacking energy: -240.185
Base-Backbone interact. energy: -1.083
local terms energy: -243.862572
where:
bonds (distance) C4'-P energy: -53.997
bonds (distance) P-C4' energy: -62.407
flat angles C4'-P-C4' energy: -54.461
flat angles P-C4'-P energy: -27.096
tors. eta vs tors. theta energy: -45.902
Dist. restrs. and SS energy: 7.856 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -788.816592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.816592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.675113 (E_RNA)
where:
Base-Base interactions energy: -556.588
where: short stacking energy: -229.618
Base-Backbone interact. energy: 0.612
local terms energy: -247.699267
where:
bonds (distance) C4'-P energy: -54.206
bonds (distance) P-C4' energy: -52.024
flat angles C4'-P-C4' energy: -61.265
flat angles P-C4'-P energy: -30.420
tors. eta vs tors. theta energy: -49.785
Dist. restrs. and SS energy: 14.859 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -1244.345723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.345723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.246846 (E_RNA)
where:
Base-Base interactions energy: -882.454
where: short stacking energy: -330.710
Base-Backbone interact. energy: -4.134
local terms energy: -360.658517
where:
bonds (distance) C4'-P energy: -68.799
bonds (distance) P-C4' energy: -70.923
flat angles C4'-P-C4' energy: -78.364
flat angles P-C4'-P energy: -55.605
tors. eta vs tors. theta energy: -86.967
Dist. restrs. and SS energy: 2.901 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -1166.989483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.989483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.381963 (E_RNA)
where:
Base-Base interactions energy: -824.062
where: short stacking energy: -310.286
Base-Backbone interact. energy: -2.106
local terms energy: -344.213768
where:
bonds (distance) C4'-P energy: -64.774
bonds (distance) P-C4' energy: -66.305
flat angles C4'-P-C4' energy: -75.317
flat angles P-C4'-P energy: -43.908
tors. eta vs tors. theta energy: -93.911
Dist. restrs. and SS energy: 3.392 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -1105.404233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.404233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.090941 (E_RNA)
where:
Base-Base interactions energy: -774.076
where: short stacking energy: -322.902
Base-Backbone interact. energy: 1.345
local terms energy: -336.359931
where:
bonds (distance) C4'-P energy: -69.069
bonds (distance) P-C4' energy: -64.033
flat angles C4'-P-C4' energy: -77.132
flat angles P-C4'-P energy: -42.746
tors. eta vs tors. theta energy: -83.380
Dist. restrs. and SS energy: 3.687 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -1061.186789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.186789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.844164 (E_RNA)
where:
Base-Base interactions energy: -733.839
where: short stacking energy: -290.955
Base-Backbone interact. energy: -1.122
local terms energy: -331.883189
where:
bonds (distance) C4'-P energy: -69.520
bonds (distance) P-C4' energy: -59.183
flat angles C4'-P-C4' energy: -74.510
flat angles P-C4'-P energy: -41.327
tors. eta vs tors. theta energy: -87.344
Dist. restrs. and SS energy: 5.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -1052.530178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.530178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.908707 (E_RNA)
where:
Base-Base interactions energy: -750.000
where: short stacking energy: -295.069
Base-Backbone interact. energy: 3.895
local terms energy: -310.803282
where:
bonds (distance) C4'-P energy: -53.164
bonds (distance) P-C4' energy: -56.005
flat angles C4'-P-C4' energy: -69.145
flat angles P-C4'-P energy: -47.954
tors. eta vs tors. theta energy: -84.536
Dist. restrs. and SS energy: 4.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -1034.534551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.534551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.752849 (E_RNA)
where:
Base-Base interactions energy: -733.682
where: short stacking energy: -281.609
Base-Backbone interact. energy: 0.449
local terms energy: -305.519556
where:
bonds (distance) C4'-P energy: -48.231
bonds (distance) P-C4' energy: -55.929
flat angles C4'-P-C4' energy: -71.324
flat angles P-C4'-P energy: -49.821
tors. eta vs tors. theta energy: -80.214
Dist. restrs. and SS energy: 4.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -940.192888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.192888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.210737 (E_RNA)
where:
Base-Base interactions energy: -652.415
where: short stacking energy: -248.578
Base-Backbone interact. energy: -0.712
local terms energy: -290.084330
where:
bonds (distance) C4'-P energy: -55.478
bonds (distance) P-C4' energy: -60.379
flat angles C4'-P-C4' energy: -69.476
flat angles P-C4'-P energy: -46.476
tors. eta vs tors. theta energy: -58.276
Dist. restrs. and SS energy: 3.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -900.249695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.249695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.717727 (E_RNA)
where:
Base-Base interactions energy: -640.610
where: short stacking energy: -244.193
Base-Backbone interact. energy: 0.255
local terms energy: -267.363647
where:
bonds (distance) C4'-P energy: -56.667
bonds (distance) P-C4' energy: -49.652
flat angles C4'-P-C4' energy: -67.035
flat angles P-C4'-P energy: -39.036
tors. eta vs tors. theta energy: -54.973
Dist. restrs. and SS energy: 7.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -886.375062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.375062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.811274 (E_RNA)
where:
Base-Base interactions energy: -620.507
where: short stacking energy: -262.449
Base-Backbone interact. energy: 0.033
local terms energy: -280.336311
where:
bonds (distance) C4'-P energy: -56.948
bonds (distance) P-C4' energy: -43.929
flat angles C4'-P-C4' energy: -69.349
flat angles P-C4'-P energy: -37.320
tors. eta vs tors. theta energy: -72.789
Dist. restrs. and SS energy: 14.436 (S_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: 101
Temperature: 1.350000
Total energy: -792.586488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.586488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.724118 (E_RNA)
where:
Base-Base interactions energy: -585.189
where: short stacking energy: -224.743
Base-Backbone interact. energy: -2.475
local terms energy: -217.060053
where:
bonds (distance) C4'-P energy: -48.123
bonds (distance) P-C4' energy: -48.004
flat angles C4'-P-C4' energy: -45.643
flat angles P-C4'-P energy: -23.852
tors. eta vs tors. theta energy: -51.438
Dist. restrs. and SS energy: 12.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -1230.212211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.212211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.689904 (E_RNA)
where:
Base-Base interactions energy: -873.811
where: short stacking energy: -332.014
Base-Backbone interact. energy: -2.454
local terms energy: -357.425065
where:
bonds (distance) C4'-P energy: -70.379
bonds (distance) P-C4' energy: -68.114
flat angles C4'-P-C4' energy: -73.613
flat angles P-C4'-P energy: -54.003
tors. eta vs tors. theta energy: -91.316
Dist. restrs. and SS energy: 3.478 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -1148.578296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.578296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.461364 (E_RNA)
where:
Base-Base interactions energy: -806.875
where: short stacking energy: -326.602
Base-Backbone interact. energy: 5.619
local terms energy: -350.205019
where:
bonds (distance) C4'-P energy: -71.453
bonds (distance) P-C4' energy: -63.177
flat angles C4'-P-C4' energy: -70.957
flat angles P-C4'-P energy: -50.328
tors. eta vs tors. theta energy: -94.290
Dist. restrs. and SS energy: 2.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -1084.457095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.457095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.286417 (E_RNA)
where:
Base-Base interactions energy: -751.843
where: short stacking energy: -324.483
Base-Backbone interact. energy: -1.369
local terms energy: -335.074648
where:
bonds (distance) C4'-P energy: -59.728
bonds (distance) P-C4' energy: -58.873
flat angles C4'-P-C4' energy: -78.225
flat angles P-C4'-P energy: -49.728
tors. eta vs tors. theta energy: -88.522
Dist. restrs. and SS energy: 3.829 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -1045.301795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.301795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.947376 (E_RNA)
where:
Base-Base interactions energy: -732.201
where: short stacking energy: -288.173
Base-Backbone interact. energy: 0.932
local terms energy: -317.678176
where:
bonds (distance) C4'-P energy: -64.291
bonds (distance) P-C4' energy: -53.205
flat angles C4'-P-C4' energy: -67.594
flat angles P-C4'-P energy: -57.585
tors. eta vs tors. theta energy: -75.004
Dist. restrs. and SS energy: 3.646 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -1057.915868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.915868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.903954 (E_RNA)
where:
Base-Base interactions energy: -730.427
where: short stacking energy: -290.785
Base-Backbone interact. energy: -0.593
local terms energy: -330.884416
where:
bonds (distance) C4'-P energy: -61.628
bonds (distance) P-C4' energy: -67.731
flat angles C4'-P-C4' energy: -73.715
flat angles P-C4'-P energy: -41.904
tors. eta vs tors. theta energy: -85.908
Dist. restrs. and SS energy: 3.988 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -995.965061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.965061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.149656 (E_RNA)
where:
Base-Base interactions energy: -682.787
where: short stacking energy: -262.958
Base-Backbone interact. energy: -1.536
local terms energy: -314.826454
where:
bonds (distance) C4'-P energy: -59.234
bonds (distance) P-C4' energy: -72.014
flat angles C4'-P-C4' energy: -70.456
flat angles P-C4'-P energy: -46.987
tors. eta vs tors. theta energy: -66.136
Dist. restrs. and SS energy: 3.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -955.262245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.262245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.205016 (E_RNA)
where:
Base-Base interactions energy: -671.446
where: short stacking energy: -254.560
Base-Backbone interact. energy: -1.182
local terms energy: -285.577432
where:
bonds (distance) C4'-P energy: -61.250
bonds (distance) P-C4' energy: -66.376
flat angles C4'-P-C4' energy: -58.714
flat angles P-C4'-P energy: -39.021
tors. eta vs tors. theta energy: -60.217
Dist. restrs. and SS energy: 2.943 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -884.506889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.506889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.459636 (E_RNA)
where:
Base-Base interactions energy: -618.304
where: short stacking energy: -233.613
Base-Backbone interact. energy: 1.852
local terms energy: -272.007547
where:
bonds (distance) C4'-P energy: -52.298
bonds (distance) P-C4' energy: -63.752
flat angles C4'-P-C4' energy: -65.734
flat angles P-C4'-P energy: -39.004
tors. eta vs tors. theta energy: -51.219
Dist. restrs. and SS energy: 3.953 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -863.280670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.280670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.393840 (E_RNA)
where:
Base-Base interactions energy: -606.829
where: short stacking energy: -239.892
Base-Backbone interact. energy: -1.670
local terms energy: -259.894714
where:
bonds (distance) C4'-P energy: -45.155
bonds (distance) P-C4' energy: -55.719
flat angles C4'-P-C4' energy: -59.063
flat angles P-C4'-P energy: -49.052
tors. eta vs tors. theta energy: -50.907
Dist. restrs. and SS energy: 5.113 (S_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: 102
Temperature: 1.350000
Total energy: -810.784569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.784569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.722378 (E_RNA)
where:
Base-Base interactions energy: -567.422
where: short stacking energy: -221.655
Base-Backbone interact. energy: -1.431
local terms energy: -254.869592
where:
bonds (distance) C4'-P energy: -48.775
bonds (distance) P-C4' energy: -57.275
flat angles C4'-P-C4' energy: -67.635
flat angles P-C4'-P energy: -30.061
tors. eta vs tors. theta energy: -51.124
Dist. restrs. and SS energy: 12.938 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -1264.204870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.204870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.704947 (E_RNA)
where:
Base-Base interactions energy: -903.113
where: short stacking energy: -345.824
Base-Backbone interact. energy: -1.729
local terms energy: -361.862964
where:
bonds (distance) C4'-P energy: -68.517
bonds (distance) P-C4' energy: -76.679
flat angles C4'-P-C4' energy: -74.719
flat angles P-C4'-P energy: -53.746
tors. eta vs tors. theta energy: -88.202
Dist. restrs. and SS energy: 2.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -1155.322250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.322250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.716766 (E_RNA)
where:
Base-Base interactions energy: -796.512
where: short stacking energy: -322.845
Base-Backbone interact. energy: -2.009
local terms energy: -360.195465
where:
bonds (distance) C4'-P energy: -68.743
bonds (distance) P-C4' energy: -65.470
flat angles C4'-P-C4' energy: -78.151
flat angles P-C4'-P energy: -50.771
tors. eta vs tors. theta energy: -97.061
Dist. restrs. and SS energy: 3.395 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -1120.757445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.757445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.282189 (E_RNA)
where:
Base-Base interactions energy: -782.499
where: short stacking energy: -331.555
Base-Backbone interact. energy: -0.560
local terms energy: -341.223402
where:
bonds (distance) C4'-P energy: -62.431
bonds (distance) P-C4' energy: -68.446
flat angles C4'-P-C4' energy: -77.168
flat angles P-C4'-P energy: -45.060
tors. eta vs tors. theta energy: -88.118
Dist. restrs. and SS energy: 3.525 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -1048.979509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.979509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.914288 (E_RNA)
where:
Base-Base interactions energy: -731.147
where: short stacking energy: -290.579
Base-Backbone interact. energy: -5.014
local terms energy: -315.753555
where:
bonds (distance) C4'-P energy: -56.316
bonds (distance) P-C4' energy: -64.918
flat angles C4'-P-C4' energy: -74.395
flat angles P-C4'-P energy: -42.881
tors. eta vs tors. theta energy: -77.243
Dist. restrs. and SS energy: 2.935 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -999.616725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.616725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.690631 (E_RNA)
where:
Base-Base interactions energy: -705.736
where: short stacking energy: -286.975
Base-Backbone interact. energy: 0.230
local terms energy: -298.184018
where:
bonds (distance) C4'-P energy: -68.155
bonds (distance) P-C4' energy: -52.636
flat angles C4'-P-C4' energy: -61.299
flat angles P-C4'-P energy: -41.024
tors. eta vs tors. theta energy: -75.070
Dist. restrs. and SS energy: 4.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -978.759547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.759547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.830346 (E_RNA)
where:
Base-Base interactions energy: -685.192
where: short stacking energy: -273.382
Base-Backbone interact. energy: -1.587
local terms energy: -296.050851
where:
bonds (distance) C4'-P energy: -63.105
bonds (distance) P-C4' energy: -52.313
flat angles C4'-P-C4' energy: -69.498
flat angles P-C4'-P energy: -42.201
tors. eta vs tors. theta energy: -68.934
Dist. restrs. and SS energy: 4.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -952.469278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.469278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.296237 (E_RNA)
where:
Base-Base interactions energy: -681.114
where: short stacking energy: -263.696
Base-Backbone interact. energy: -1.148
local terms energy: -279.034553
where:
bonds (distance) C4'-P energy: -62.390
bonds (distance) P-C4' energy: -52.708
flat angles C4'-P-C4' energy: -76.421
flat angles P-C4'-P energy: -40.868
tors. eta vs tors. theta energy: -46.648
Dist. restrs. and SS energy: 8.827 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -899.905560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.905560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.603575 (E_RNA)
where:
Base-Base interactions energy: -640.351
where: short stacking energy: -241.581
Base-Backbone interact. energy: 1.427
local terms energy: -270.679636
where:
bonds (distance) C4'-P energy: -57.317
bonds (distance) P-C4' energy: -55.001
flat angles C4'-P-C4' energy: -59.850
flat angles P-C4'-P energy: -39.890
tors. eta vs tors. theta energy: -58.622
Dist. restrs. and SS energy: 9.698 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -886.669209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.669209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.077004 (E_RNA)
where:
Base-Base interactions energy: -625.013
where: short stacking energy: -236.670
Base-Backbone interact. energy: -0.766
local terms energy: -265.297927
where:
bonds (distance) C4'-P energy: -50.083
bonds (distance) P-C4' energy: -66.886
flat angles C4'-P-C4' energy: -73.284
flat angles P-C4'-P energy: -31.259
tors. eta vs tors. theta energy: -43.786
Dist. restrs. and SS energy: 4.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -824.685514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.685514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.108591 (E_RNA)
where:
Base-Base interactions energy: -556.577
where: short stacking energy: -206.805
Base-Backbone interact. energy: -2.936
local terms energy: -280.595468
where:
bonds (distance) C4'-P energy: -55.811
bonds (distance) P-C4' energy: -55.987
flat angles C4'-P-C4' energy: -59.660
flat angles P-C4'-P energy: -51.425
tors. eta vs tors. theta energy: -57.712
Dist. restrs. and SS energy: 15.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -1249.068716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.068716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.749019 (E_RNA)
where:
Base-Base interactions energy: -900.280
where: short stacking energy: -354.448
Base-Backbone interact. energy: 1.706
local terms energy: -353.175302
where:
bonds (distance) C4'-P energy: -65.915
bonds (distance) P-C4' energy: -65.335
flat angles C4'-P-C4' energy: -78.148
flat angles P-C4'-P energy: -48.791
tors. eta vs tors. theta energy: -94.986
Dist. restrs. and SS energy: 2.680 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -1145.115777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.115777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.951011 (E_RNA)
where:
Base-Base interactions energy: -799.032
where: short stacking energy: -340.040
Base-Backbone interact. energy: -4.324
local terms energy: -346.594612
where:
bonds (distance) C4'-P energy: -60.829
bonds (distance) P-C4' energy: -59.787
flat angles C4'-P-C4' energy: -72.580
flat angles P-C4'-P energy: -54.460
tors. eta vs tors. theta energy: -98.939
Dist. restrs. and SS energy: 4.835 (S_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: 104
Temperature: 1.000000
Total energy: -1138.051130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.051130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.735689 (E_RNA)
where:
Base-Base interactions energy: -801.272
where: short stacking energy: -328.336
Base-Backbone interact. energy: -0.676
local terms energy: -339.787586
where:
bonds (distance) C4'-P energy: -68.065
bonds (distance) P-C4' energy: -56.031
flat angles C4'-P-C4' energy: -71.530
flat angles P-C4'-P energy: -50.234
tors. eta vs tors. theta energy: -93.928
Dist. restrs. and SS energy: 3.685 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -1090.264959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.264959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.961678 (E_RNA)
where:
Base-Base interactions energy: -749.534
where: short stacking energy: -316.958
Base-Backbone interact. energy: -1.320
local terms energy: -344.107319
where:
bonds (distance) C4'-P energy: -62.011
bonds (distance) P-C4' energy: -67.601
flat angles C4'-P-C4' energy: -76.102
flat angles P-C4'-P energy: -46.230
tors. eta vs tors. theta energy: -92.163
Dist. restrs. and SS energy: 4.697 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -1038.054624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.054624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.884349 (E_RNA)
where:
Base-Base interactions energy: -735.981
where: short stacking energy: -304.164
Base-Backbone interact. energy: -1.602
local terms energy: -304.301343
where:
bonds (distance) C4'-P energy: -71.271
bonds (distance) P-C4' energy: -51.473
flat angles C4'-P-C4' energy: -68.790
flat angles P-C4'-P energy: -41.423
tors. eta vs tors. theta energy: -71.344
Dist. restrs. and SS energy: 3.830 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -962.256461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.256461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.227824 (E_RNA)
where:
Base-Base interactions energy: -690.827
where: short stacking energy: -276.074
Base-Backbone interact. energy: 0.870
local terms energy: -279.271060
where:
bonds (distance) C4'-P energy: -49.092
bonds (distance) P-C4' energy: -57.353
flat angles C4'-P-C4' energy: -65.035
flat angles P-C4'-P energy: -36.498
tors. eta vs tors. theta energy: -71.293
Dist. restrs. and SS energy: 6.971 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -951.784082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.784082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.665525 (E_RNA)
where:
Base-Base interactions energy: -682.086
where: short stacking energy: -284.362
Base-Backbone interact. energy: 0.909
local terms energy: -276.488601
where:
bonds (distance) C4'-P energy: -53.915
bonds (distance) P-C4' energy: -51.571
flat angles C4'-P-C4' energy: -63.051
flat angles P-C4'-P energy: -41.980
tors. eta vs tors. theta energy: -65.972
Dist. restrs. and SS energy: 5.881 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -920.602971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.602971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.240831 (E_RNA)
where:
Base-Base interactions energy: -650.754
where: short stacking energy: -233.074
Base-Backbone interact. energy: -0.675
local terms energy: -272.812095
where:
bonds (distance) C4'-P energy: -55.549
bonds (distance) P-C4' energy: -65.840
flat angles C4'-P-C4' energy: -65.573
flat angles P-C4'-P energy: -37.367
tors. eta vs tors. theta energy: -48.484
Dist. restrs. and SS energy: 3.638 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -866.472883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.472883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.570068 (E_RNA)
where:
Base-Base interactions energy: -604.448
where: short stacking energy: -242.811
Base-Backbone interact. energy: 0.920
local terms energy: -272.042099
where:
bonds (distance) C4'-P energy: -63.425
bonds (distance) P-C4' energy: -52.194
flat angles C4'-P-C4' energy: -55.420
flat angles P-C4'-P energy: -38.438
tors. eta vs tors. theta energy: -62.565
Dist. restrs. and SS energy: 9.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -834.991615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.991615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.426701 (E_RNA)
where:
Base-Base interactions energy: -592.702
where: short stacking energy: -218.446
Base-Backbone interact. energy: 1.697
local terms energy: -247.422208
where:
bonds (distance) C4'-P energy: -50.771
bonds (distance) P-C4' energy: -54.229
flat angles C4'-P-C4' energy: -55.253
flat angles P-C4'-P energy: -39.562
tors. eta vs tors. theta energy: -47.607
Dist. restrs. and SS energy: 3.435 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -1227.056406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.056406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.137721 (E_RNA)
where:
Base-Base interactions energy: -875.525
where: short stacking energy: -327.888
Base-Backbone interact. energy: -2.127
local terms energy: -352.485350
where:
bonds (distance) C4'-P energy: -62.398
bonds (distance) P-C4' energy: -77.293
flat angles C4'-P-C4' energy: -73.543
flat angles P-C4'-P energy: -53.246
tors. eta vs tors. theta energy: -86.006
Dist. restrs. and SS energy: 3.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -1152.623443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.623443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.764548 (E_RNA)
where:
Base-Base interactions energy: -842.932
where: short stacking energy: -337.586
Base-Backbone interact. energy: 0.835
local terms energy: -314.667766
where:
bonds (distance) C4'-P energy: -56.929
bonds (distance) P-C4' energy: -55.788
flat angles C4'-P-C4' energy: -66.137
flat angles P-C4'-P energy: -40.159
tors. eta vs tors. theta energy: -95.655
Dist. restrs. and SS energy: 4.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -1118.857497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.857497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.165554 (E_RNA)
where:
Base-Base interactions energy: -792.244
where: short stacking energy: -315.761
Base-Backbone interact. energy: -0.167
local terms energy: -330.754514
where:
bonds (distance) C4'-P energy: -60.026
bonds (distance) P-C4' energy: -62.952
flat angles C4'-P-C4' energy: -70.805
flat angles P-C4'-P energy: -52.809
tors. eta vs tors. theta energy: -84.162
Dist. restrs. and SS energy: 4.308 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -1052.053163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.053163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.540598 (E_RNA)
where:
Base-Base interactions energy: -744.696
where: short stacking energy: -297.607
Base-Backbone interact. energy: -4.646
local terms energy: -307.197855
where:
bonds (distance) C4'-P energy: -57.302
bonds (distance) P-C4' energy: -60.645
flat angles C4'-P-C4' energy: -64.546
flat angles P-C4'-P energy: -57.480
tors. eta vs tors. theta energy: -67.224
Dist. restrs. and SS energy: 4.487 (S_DIST_RNA)
chem. 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: -1037.336775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.336775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.992349 (E_RNA)
where:
Base-Base interactions energy: -719.265
where: short stacking energy: -302.489
Base-Backbone interact. energy: 0.154
local terms energy: -322.880512
where:
bonds (distance) C4'-P energy: -63.381
bonds (distance) P-C4' energy: -64.755
flat angles C4'-P-C4' energy: -66.121
flat angles P-C4'-P energy: -41.948
tors. eta vs tors. theta energy: -86.675
Dist. restrs. and SS energy: 4.656 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -934.820367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.820367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.915729 (E_RNA)
where:
Base-Base interactions energy: -631.549
where: short stacking energy: -255.307
Base-Backbone interact. energy: -1.276
local terms energy: -308.090593
where:
bonds (distance) C4'-P energy: -51.428
bonds (distance) P-C4' energy: -70.551
flat angles C4'-P-C4' energy: -68.683
flat angles P-C4'-P energy: -44.383
tors. eta vs tors. theta energy: -73.046
Dist. restrs. and SS energy: 6.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -930.876579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.876579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.602041 (E_RNA)
where:
Base-Base interactions energy: -646.385
where: short stacking energy: -263.989
Base-Backbone interact. energy: 0.253
local terms energy: -290.469986
where:
bonds (distance) C4'-P energy: -58.695
bonds (distance) P-C4' energy: -60.062
flat angles C4'-P-C4' energy: -59.995
flat angles P-C4'-P energy: -47.269
tors. eta vs tors. theta energy: -64.449
Dist. restrs. and SS energy: 5.725 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -938.714834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.714834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.027394 (E_RNA)
where:
Base-Base interactions energy: -657.752
where: short stacking energy: -245.929
Base-Backbone interact. energy: -1.998
local terms energy: -282.276687
where:
bonds (distance) C4'-P energy: -67.117
bonds (distance) P-C4' energy: -58.373
flat angles C4'-P-C4' energy: -56.624
flat angles P-C4'-P energy: -39.881
tors. eta vs tors. theta energy: -60.282
Dist. restrs. and SS energy: 3.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -869.616539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.616539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.117833 (E_RNA)
where:
Base-Base interactions energy: -603.759
where: short stacking energy: -241.697
Base-Backbone interact. energy: 1.341
local terms energy: -271.700095
where:
bonds (distance) C4'-P energy: -61.555
bonds (distance) P-C4' energy: -43.817
flat angles C4'-P-C4' energy: -67.832
flat angles P-C4'-P energy: -41.604
tors. eta vs tors. theta energy: -56.893
Dist. restrs. and SS energy: 4.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -850.731940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.731940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.379893 (E_RNA)
where:
Base-Base interactions energy: -611.899
where: short stacking energy: -245.991
Base-Backbone interact. energy: 0.563
local terms energy: -244.044543
where:
bonds (distance) C4'-P energy: -41.632
bonds (distance) P-C4' energy: -49.572
flat angles C4'-P-C4' energy: -57.217
flat angles P-C4'-P energy: -42.155
tors. eta vs tors. theta energy: -53.468
Dist. restrs. and SS energy: 4.648 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -1237.189896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.189896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.817940 (E_RNA)
where:
Base-Base interactions energy: -894.971
where: short stacking energy: -341.958
Base-Backbone interact. energy: -1.411
local terms energy: -343.436180
where:
bonds (distance) C4'-P energy: -65.852
bonds (distance) P-C4' energy: -69.601
flat angles C4'-P-C4' energy: -72.703
flat angles P-C4'-P energy: -48.026
tors. eta vs tors. theta energy: -87.254
Dist. restrs. and SS energy: 2.628 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -1139.218973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.218973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.687417 (E_RNA)
where:
Base-Base interactions energy: -785.646
where: short stacking energy: -302.237
Base-Backbone interact. energy: -2.253
local terms energy: -355.789188
where:
bonds (distance) C4'-P energy: -62.582
bonds (distance) P-C4' energy: -73.879
flat angles C4'-P-C4' energy: -80.578
flat angles P-C4'-P energy: -48.724
tors. eta vs tors. theta energy: -90.026
Dist. restrs. and SS energy: 4.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -1102.866335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.866335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.403666 (E_RNA)
where:
Base-Base interactions energy: -774.434
where: short stacking energy: -314.905
Base-Backbone interact. energy: 0.043
local terms energy: -332.012715
where:
bonds (distance) C4'-P energy: -65.420
bonds (distance) P-C4' energy: -55.159
flat angles C4'-P-C4' energy: -72.180
flat angles P-C4'-P energy: -50.541
tors. eta vs tors. theta energy: -88.713
Dist. restrs. and SS energy: 3.537 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -1056.418517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.418517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.496603 (E_RNA)
where:
Base-Base interactions energy: -738.333
where: short stacking energy: -287.318
Base-Backbone interact. energy: -1.760
local terms energy: -320.403655
where:
bonds (distance) C4'-P energy: -56.572
bonds (distance) P-C4' energy: -64.990
flat angles C4'-P-C4' energy: -70.512
flat angles P-C4'-P energy: -50.324
tors. eta vs tors. theta energy: -78.005
Dist. restrs. and SS energy: 4.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -1052.847070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.847070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.246087 (E_RNA)
where:
Base-Base interactions energy: -722.901
where: short stacking energy: -294.162
Base-Backbone interact. energy: 0.092
local terms energy: -333.437284
where:
bonds (distance) C4'-P energy: -63.238
bonds (distance) P-C4' energy: -68.451
flat angles C4'-P-C4' energy: -69.922
flat angles P-C4'-P energy: -49.722
tors. eta vs tors. theta energy: -82.104
Dist. restrs. and SS energy: 3.399 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -974.461937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.461937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.850607 (E_RNA)
where:
Base-Base interactions energy: -679.396
where: short stacking energy: -275.472
Base-Backbone interact. energy: -2.375
local terms energy: -296.080026
where:
bonds (distance) C4'-P energy: -53.122
bonds (distance) P-C4' energy: -66.749
flat angles C4'-P-C4' energy: -72.478
flat angles P-C4'-P energy: -30.415
tors. eta vs tors. theta energy: -73.316
Dist. restrs. and SS energy: 3.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -949.257115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.257115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.069468 (E_RNA)
where:
Base-Base interactions energy: -697.302
where: short stacking energy: -281.239
Base-Backbone interact. energy: 0.313
local terms energy: -264.080404
where:
bonds (distance) C4'-P energy: -51.078
bonds (distance) P-C4' energy: -63.680
flat angles C4'-P-C4' energy: -66.325
flat angles P-C4'-P energy: -20.437
tors. eta vs tors. theta energy: -62.560
Dist. restrs. and SS energy: 11.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -927.157193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.157193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.454448 (E_RNA)
where:
Base-Base interactions energy: -676.111
where: short stacking energy: -250.515
Base-Backbone interact. energy: -0.894
local terms energy: -255.449093
where:
bonds (distance) C4'-P energy: -53.774
bonds (distance) P-C4' energy: -55.312
flat angles C4'-P-C4' energy: -56.302
flat angles P-C4'-P energy: -31.092
tors. eta vs tors. theta energy: -58.970
Dist. restrs. and SS energy: 5.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -887.332080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.332080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.366789 (E_RNA)
where:
Base-Base interactions energy: -634.898
where: short stacking energy: -245.432
Base-Backbone interact. energy: 1.475
local terms energy: -262.944219
where:
bonds (distance) C4'-P energy: -52.087
bonds (distance) P-C4' energy: -48.816
flat angles C4'-P-C4' energy: -62.577
flat angles P-C4'-P energy: -42.111
tors. eta vs tors. theta energy: -57.354
Dist. restrs. and SS energy: 9.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -833.989639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.989639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.536249 (E_RNA)
where:
Base-Base interactions energy: -580.051
where: short stacking energy: -233.746
Base-Backbone interact. energy: -1.276
local terms energy: -259.209664
where:
bonds (distance) C4'-P energy: -55.085
bonds (distance) P-C4' energy: -42.075
flat angles C4'-P-C4' energy: -59.495
flat angles P-C4'-P energy: -45.128
tors. eta vs tors. theta energy: -57.427
Dist. restrs. and SS energy: 6.547 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -1241.847485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.847485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.694659 (E_RNA)
where:
Base-Base interactions energy: -893.679
where: short stacking energy: -336.033
Base-Backbone interact. energy: -2.993
local terms energy: -348.023267
where:
bonds (distance) C4'-P energy: -67.485
bonds (distance) P-C4' energy: -65.424
flat angles C4'-P-C4' energy: -77.059
flat angles P-C4'-P energy: -46.769
tors. eta vs tors. theta energy: -91.286
Dist. restrs. and SS energy: 2.847 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -1131.449967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.449967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.288605 (E_RNA)
where:
Base-Base interactions energy: -799.762
where: short stacking energy: -329.281
Base-Backbone interact. energy: -1.308
local terms energy: -335.218248
where:
bonds (distance) C4'-P energy: -62.556
bonds (distance) P-C4' energy: -66.949
flat angles C4'-P-C4' energy: -75.808
flat angles P-C4'-P energy: -44.775
tors. eta vs tors. theta energy: -85.130
Dist. restrs. and SS energy: 4.839 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -1110.015388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.015388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.891539 (E_RNA)
where:
Base-Base interactions energy: -772.088
where: short stacking energy: -296.550
Base-Backbone interact. energy: -3.207
local terms energy: -337.596618
where:
bonds (distance) C4'-P energy: -67.807
bonds (distance) P-C4' energy: -72.184
flat angles C4'-P-C4' energy: -80.575
flat angles P-C4'-P energy: -44.553
tors. eta vs tors. theta energy: -72.478
Dist. restrs. and SS energy: 2.876 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -1040.288987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.288987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.932500 (E_RNA)
where:
Base-Base interactions energy: -721.093
where: short stacking energy: -288.171
Base-Backbone interact. energy: -2.512
local terms energy: -322.327916
where:
bonds (distance) C4'-P energy: -65.830
bonds (distance) P-C4' energy: -62.590
flat angles C4'-P-C4' energy: -74.010
flat angles P-C4'-P energy: -40.072
tors. eta vs tors. theta energy: -79.826
Dist. restrs. and SS energy: 5.644 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -1017.441905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.441905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.524573 (E_RNA)
where:
Base-Base interactions energy: -721.020
where: short stacking energy: -296.747
Base-Backbone interact. energy: -2.242
local terms energy: -298.262162
where:
bonds (distance) C4'-P energy: -64.344
bonds (distance) P-C4' energy: -54.278
flat angles C4'-P-C4' energy: -70.328
flat angles P-C4'-P energy: -40.555
tors. eta vs tors. theta energy: -68.757
Dist. restrs. and SS energy: 4.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -925.958500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.958500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.658113 (E_RNA)
where:
Base-Base interactions energy: -655.806
where: short stacking energy: -260.871
Base-Backbone interact. energy: -1.236
local terms energy: -279.615894
where:
bonds (distance) C4'-P energy: -42.264
bonds (distance) P-C4' energy: -60.125
flat angles C4'-P-C4' energy: -73.050
flat angles P-C4'-P energy: -44.526
tors. eta vs tors. theta energy: -59.650
Dist. restrs. and SS energy: 10.700 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -944.787590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.787590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.104865 (E_RNA)
where:
Base-Base interactions energy: -666.935
where: short stacking energy: -270.800
Base-Backbone interact. energy: -0.308
local terms energy: -284.861579
where:
bonds (distance) C4'-P energy: -47.337
bonds (distance) P-C4' energy: -59.527
flat angles C4'-P-C4' energy: -71.023
flat angles P-C4'-P energy: -32.272
tors. eta vs tors. theta energy: -74.703
Dist. restrs. and SS energy: 7.317 (S_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: 107
Temperature: 1.250000
Total energy: -924.318048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.318048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.569431 (E_RNA)
where:
Base-Base interactions energy: -663.493
where: short stacking energy: -261.922
Base-Backbone interact. energy: -1.334
local terms energy: -265.742606
where:
bonds (distance) C4'-P energy: -41.405
bonds (distance) P-C4' energy: -56.783
flat angles C4'-P-C4' energy: -56.599
flat angles P-C4'-P energy: -43.223
tors. eta vs tors. theta energy: -67.733
Dist. restrs. and SS energy: 6.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -923.753000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.753000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.893598 (E_RNA)
where:
Base-Base interactions energy: -669.164
where: short stacking energy: -264.473
Base-Backbone interact. energy: -2.895
local terms energy: -261.834538
where:
bonds (distance) C4'-P energy: -44.254
bonds (distance) P-C4' energy: -51.185
flat angles C4'-P-C4' energy: -53.308
flat angles P-C4'-P energy: -43.415
tors. eta vs tors. theta energy: -69.673
Dist. restrs. and SS energy: 10.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -824.736588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.736588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.658340 (E_RNA)
where:
Base-Base interactions energy: -591.118
where: short stacking energy: -225.869
Base-Backbone interact. energy: -0.659
local terms energy: -238.881255
where:
bonds (distance) C4'-P energy: -49.468
bonds (distance) P-C4' energy: -50.594
flat angles C4'-P-C4' energy: -53.429
flat angles P-C4'-P energy: -36.136
tors. eta vs tors. theta energy: -49.256
Dist. restrs. and SS energy: 5.922 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -1250.156787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.156787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.144318 (E_RNA)
where:
Base-Base interactions energy: -895.994
where: short stacking energy: -338.216
Base-Backbone interact. energy: -3.118
local terms energy: -354.032473
where:
bonds (distance) C4'-P energy: -62.536
bonds (distance) P-C4' energy: -68.860
flat angles C4'-P-C4' energy: -77.842
flat angles P-C4'-P energy: -50.314
tors. eta vs tors. theta energy: -94.480
Dist. restrs. and SS energy: 2.988 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -1160.069931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.069931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.476144 (E_RNA)
where:
Base-Base interactions energy: -788.893
where: short stacking energy: -330.436
Base-Backbone interact. energy: -2.239
local terms energy: -372.343767
where:
bonds (distance) C4'-P energy: -66.759
bonds (distance) P-C4' energy: -75.704
flat angles C4'-P-C4' energy: -79.027
flat angles P-C4'-P energy: -55.294
tors. eta vs tors. theta energy: -95.560
Dist. restrs. and SS energy: 3.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -1138.004057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.004057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.348807 (E_RNA)
where:
Base-Base interactions energy: -795.389
where: short stacking energy: -317.421
Base-Backbone interact. energy: -1.113
local terms energy: -345.847159
where:
bonds (distance) C4'-P energy: -59.160
bonds (distance) P-C4' energy: -62.379
flat angles C4'-P-C4' energy: -82.973
flat angles P-C4'-P energy: -55.014
tors. eta vs tors. theta energy: -86.321
Dist. restrs. and SS energy: 4.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -1067.155299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.155299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.856148 (E_RNA)
where:
Base-Base interactions energy: -727.827
where: short stacking energy: -298.302
Base-Backbone interact. energy: -2.899
local terms energy: -340.130613
where:
bonds (distance) C4'-P energy: -68.133
bonds (distance) P-C4' energy: -65.935
flat angles C4'-P-C4' energy: -69.761
flat angles P-C4'-P energy: -54.383
tors. eta vs tors. theta energy: -81.918
Dist. restrs. and SS energy: 3.701 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -1019.431261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.431261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.482279 (E_RNA)
where:
Base-Base interactions energy: -698.444
where: short stacking energy: -277.981
Base-Backbone interact. energy: -1.443
local terms energy: -322.594916
where:
bonds (distance) C4'-P energy: -63.212
bonds (distance) P-C4' energy: -71.456
flat angles C4'-P-C4' energy: -64.003
flat angles P-C4'-P energy: -47.312
tors. eta vs tors. theta energy: -76.612
Dist. restrs. and SS energy: 3.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -964.142222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.142222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.350705 (E_RNA)
where:
Base-Base interactions energy: -650.644
where: short stacking energy: -263.234
Base-Backbone interact. energy: -3.421
local terms energy: -315.285672
where:
bonds (distance) C4'-P energy: -68.789
bonds (distance) P-C4' energy: -61.095
flat angles C4'-P-C4' energy: -74.989
flat angles P-C4'-P energy: -47.215
tors. eta vs tors. theta energy: -63.196
Dist. restrs. and SS energy: 5.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -943.927422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.927422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.944446 (E_RNA)
where:
Base-Base interactions energy: -670.457
where: short stacking energy: -253.914
Base-Backbone interact. energy: -3.470
local terms energy: -274.017600
where:
bonds (distance) C4'-P energy: -61.098
bonds (distance) P-C4' energy: -57.518
flat angles C4'-P-C4' energy: -63.516
flat angles P-C4'-P energy: -32.821
tors. eta vs tors. theta energy: -59.065
Dist. restrs. and SS energy: 4.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -919.608577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.608577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.146222 (E_RNA)
where:
Base-Base interactions energy: -651.441
where: short stacking energy: -263.055
Base-Backbone interact. energy: -1.964
local terms energy: -269.741549
where:
bonds (distance) C4'-P energy: -47.051
bonds (distance) P-C4' energy: -59.577
flat angles C4'-P-C4' energy: -59.604
flat angles P-C4'-P energy: -42.797
tors. eta vs tors. theta energy: -60.712
Dist. restrs. and SS energy: 3.538 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -907.040168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.040168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.237558 (E_RNA)
where:
Base-Base interactions energy: -641.464
where: short stacking energy: -261.088
Base-Backbone interact. energy: -0.924
local terms energy: -275.850004
where:
bonds (distance) C4'-P energy: -53.666
bonds (distance) P-C4' energy: -51.607
flat angles C4'-P-C4' energy: -62.184
flat angles P-C4'-P energy: -43.941
tors. eta vs tors. theta energy: -64.452
Dist. restrs. and SS energy: 11.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -802.217281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.217281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.206599 (E_RNA)
where:
Base-Base interactions energy: -565.974
where: short stacking energy: -233.967
Base-Backbone interact. energy: -0.065
local terms energy: -242.167833
where:
bonds (distance) C4'-P energy: -41.846
bonds (distance) P-C4' energy: -68.033
flat angles C4'-P-C4' energy: -64.460
flat angles P-C4'-P energy: -20.076
tors. eta vs tors. theta energy: -47.753
Dist. restrs. and SS energy: 5.989 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -1241.817437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.817437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.571596 (E_RNA)
where:
Base-Base interactions energy: -889.851
where: short stacking energy: -342.955
Base-Backbone interact. energy: 0.649
local terms energy: -355.370504
where:
bonds (distance) C4'-P energy: -69.751
bonds (distance) P-C4' energy: -63.209
flat angles C4'-P-C4' energy: -74.978
flat angles P-C4'-P energy: -53.409
tors. eta vs tors. theta energy: -94.023
Dist. restrs. and SS energy: 2.754 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -1139.274200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.274200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.158529 (E_RNA)
where:
Base-Base interactions energy: -789.225
where: short stacking energy: -330.738
Base-Backbone interact. energy: -2.448
local terms energy: -350.486066
where:
bonds (distance) C4'-P energy: -58.530
bonds (distance) P-C4' energy: -75.120
flat angles C4'-P-C4' energy: -75.373
flat angles P-C4'-P energy: -52.194
tors. eta vs tors. theta energy: -89.269
Dist. restrs. and SS energy: 2.884 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -1109.126772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.126772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.842556 (E_RNA)
where:
Base-Base interactions energy: -770.728
where: short stacking energy: -318.358
Base-Backbone interact. energy: -2.035
local terms energy: -339.079390
where:
bonds (distance) C4'-P energy: -63.690
bonds (distance) P-C4' energy: -63.988
flat angles C4'-P-C4' energy: -70.915
flat angles P-C4'-P energy: -51.218
tors. eta vs tors. theta energy: -89.268
Dist. restrs. and SS energy: 2.716 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -1083.887814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.887814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.704390 (E_RNA)
where:
Base-Base interactions energy: -744.516
where: short stacking energy: -302.190
Base-Backbone interact. energy: -2.442
local terms energy: -340.746276
where:
bonds (distance) C4'-P energy: -57.569
bonds (distance) P-C4' energy: -62.414
flat angles C4'-P-C4' energy: -78.801
flat angles P-C4'-P energy: -48.914
tors. eta vs tors. theta energy: -93.049
Dist. restrs. and SS energy: 3.817 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -1016.707982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.707982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.104600 (E_RNA)
where:
Base-Base interactions energy: -722.727
where: short stacking energy: -287.232
Base-Backbone interact. energy: 2.308
local terms energy: -300.685250
where:
bonds (distance) C4'-P energy: -58.222
bonds (distance) P-C4' energy: -56.286
flat angles C4'-P-C4' energy: -61.393
flat angles P-C4'-P energy: -50.039
tors. eta vs tors. theta energy: -74.745
Dist. restrs. and SS energy: 4.397 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -942.132459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.132459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.397724 (E_RNA)
where:
Base-Base interactions energy: -670.410
where: short stacking energy: -272.761
Base-Backbone interact. energy: -1.656
local terms energy: -280.331259
where:
bonds (distance) C4'-P energy: -45.060
bonds (distance) P-C4' energy: -63.328
flat angles C4'-P-C4' energy: -70.518
flat angles P-C4'-P energy: -42.582
tors. eta vs tors. theta energy: -58.843
Dist. restrs. and SS energy: 10.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -964.829355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.829355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.526618 (E_RNA)
where:
Base-Base interactions energy: -687.447
where: short stacking energy: -269.292
Base-Backbone interact. energy: 3.016
local terms energy: -284.095956
where:
bonds (distance) C4'-P energy: -59.479
bonds (distance) P-C4' energy: -59.367
flat angles C4'-P-C4' energy: -53.604
flat angles P-C4'-P energy: -51.732
tors. eta vs tors. theta energy: -59.913
Dist. restrs. and SS energy: 3.697 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -916.517042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.517042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.763598 (E_RNA)
where:
Base-Base interactions energy: -623.459
where: short stacking energy: -234.906
Base-Backbone interact. energy: -0.752
local terms energy: -299.553102
where:
bonds (distance) C4'-P energy: -65.180
bonds (distance) P-C4' energy: -55.535
flat angles C4'-P-C4' energy: -67.722
flat angles P-C4'-P energy: -39.746
tors. eta vs tors. theta energy: -71.371
Dist. restrs. and SS energy: 7.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -884.007085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.007085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.915315 (E_RNA)
where:
Base-Base interactions energy: -608.180
where: short stacking energy: -233.791
Base-Backbone interact. energy: -1.979
local terms energy: -278.756590
where:
bonds (distance) C4'-P energy: -53.052
bonds (distance) P-C4' energy: -71.105
flat angles C4'-P-C4' energy: -60.894
flat angles P-C4'-P energy: -40.689
tors. eta vs tors. theta energy: -53.017
Dist. restrs. and SS energy: 4.908 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -827.456056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.456056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.888771 (E_RNA)
where:
Base-Base interactions energy: -567.688
where: short stacking energy: -218.793
Base-Backbone interact. energy: 1.044
local terms energy: -267.244001
where:
bonds (distance) C4'-P energy: -45.684
bonds (distance) P-C4' energy: -51.701
flat angles C4'-P-C4' energy: -63.421
flat angles P-C4'-P energy: -43.229
tors. eta vs tors. theta energy: -63.209
Dist. restrs. and SS energy: 6.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -1249.746726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.746726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.564151 (E_RNA)
where:
Base-Base interactions energy: -886.014
where: short stacking energy: -337.660
Base-Backbone interact. energy: -0.508
local terms energy: -366.041933
where:
bonds (distance) C4'-P energy: -71.410
bonds (distance) P-C4' energy: -73.853
flat angles C4'-P-C4' energy: -74.699
flat angles P-C4'-P energy: -53.012
tors. eta vs tors. theta energy: -93.068
Dist. restrs. and SS energy: 2.817 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -1153.155513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.155513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.280196 (E_RNA)
where:
Base-Base interactions energy: -805.722
where: short stacking energy: -328.130
Base-Backbone interact. energy: -3.178
local terms energy: -348.379592
where:
bonds (distance) C4'-P energy: -64.284
bonds (distance) P-C4' energy: -62.529
flat angles C4'-P-C4' energy: -82.730
flat angles P-C4'-P energy: -48.786
tors. eta vs tors. theta energy: -90.051
Dist. restrs. and SS energy: 4.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -1114.906658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.906658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.354332 (E_RNA)
where:
Base-Base interactions energy: -776.474
where: short stacking energy: -314.143
Base-Backbone interact. energy: 0.583
local terms energy: -342.463468
where:
bonds (distance) C4'-P energy: -69.195
bonds (distance) P-C4' energy: -47.215
flat angles C4'-P-C4' energy: -75.108
flat angles P-C4'-P energy: -54.390
tors. eta vs tors. theta energy: -96.556
Dist. restrs. and SS energy: 3.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -1089.092889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.092889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.060187 (E_RNA)
where:
Base-Base interactions energy: -764.589
where: short stacking energy: -307.526
Base-Backbone interact. energy: -0.708
local terms energy: -327.763474
where:
bonds (distance) C4'-P energy: -50.782
bonds (distance) P-C4' energy: -70.259
flat angles C4'-P-C4' energy: -68.966
flat angles P-C4'-P energy: -54.903
tors. eta vs tors. theta energy: -82.853
Dist. restrs. and SS energy: 3.967 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -1031.287829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.287829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.573772 (E_RNA)
where:
Base-Base interactions energy: -723.369
where: short stacking energy: -296.654
Base-Backbone interact. energy: 1.941
local terms energy: -314.145400
where:
bonds (distance) C4'-P energy: -67.596
bonds (distance) P-C4' energy: -59.083
flat angles C4'-P-C4' energy: -72.016
flat angles P-C4'-P energy: -40.968
tors. eta vs tors. theta energy: -74.482
Dist. restrs. and SS energy: 4.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -950.313293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.313293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.619907 (E_RNA)
where:
Base-Base interactions energy: -664.176
where: short stacking energy: -263.566
Base-Backbone interact. energy: -0.486
local terms energy: -291.957888
where:
bonds (distance) C4'-P energy: -47.259
bonds (distance) P-C4' energy: -64.987
flat angles C4'-P-C4' energy: -61.076
flat angles P-C4'-P energy: -49.693
tors. eta vs tors. theta energy: -68.943
Dist. restrs. and SS energy: 6.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -970.368091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.368091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.120709 (E_RNA)
where:
Base-Base interactions energy: -683.730
where: short stacking energy: -263.278
Base-Backbone interact. energy: -3.579
local terms energy: -286.811956
where:
bonds (distance) C4'-P energy: -54.914
bonds (distance) P-C4' energy: -65.642
flat angles C4'-P-C4' energy: -55.373
flat angles P-C4'-P energy: -47.907
tors. eta vs tors. theta energy: -62.977
Dist. restrs. and SS energy: 3.753 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -888.158573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.158573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.422207 (E_RNA)
where:
Base-Base interactions energy: -635.590
where: short stacking energy: -255.831
Base-Backbone interact. energy: -2.014
local terms energy: -261.818146
where:
bonds (distance) C4'-P energy: -42.818
bonds (distance) P-C4' energy: -55.812
flat angles C4'-P-C4' energy: -55.553
flat angles P-C4'-P energy: -39.621
tors. eta vs tors. theta energy: -68.013
Dist. restrs. and SS energy: 11.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -847.587542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.587542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.402362 (E_RNA)
where:
Base-Base interactions energy: -594.699
where: short stacking energy: -237.375
Base-Backbone interact. energy: -0.951
local terms energy: -255.752170
where:
bonds (distance) C4'-P energy: -57.065
bonds (distance) P-C4' energy: -59.000
flat angles C4'-P-C4' energy: -56.245
flat angles P-C4'-P energy: -34.088
tors. eta vs tors. theta energy: -49.354
Dist. restrs. and SS energy: 3.815 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -851.046551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.046551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.144482 (E_RNA)
where:
Base-Base interactions energy: -610.476
where: short stacking energy: -227.288
Base-Backbone interact. energy: 0.439
local terms energy: -247.107672
where:
bonds (distance) C4'-P energy: -46.201
bonds (distance) P-C4' energy: -55.393
flat angles C4'-P-C4' energy: -57.282
flat angles P-C4'-P energy: -39.112
tors. eta vs tors. theta energy: -49.120
Dist. restrs. and SS energy: 6.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -1231.766980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.766980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.249884 (E_RNA)
where:
Base-Base interactions energy: -872.061
where: short stacking energy: -322.919
Base-Backbone interact. energy: -1.879
local terms energy: -361.309953
where:
bonds (distance) C4'-P energy: -63.956
bonds (distance) P-C4' energy: -74.592
flat angles C4'-P-C4' energy: -82.439
flat angles P-C4'-P energy: -57.738
tors. eta vs tors. theta energy: -82.586
Dist. restrs. and SS energy: 3.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -1160.019616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.019616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.217699 (E_RNA)
where:
Base-Base interactions energy: -819.054
where: short stacking energy: -325.593
Base-Backbone interact. energy: 0.102
local terms energy: -344.265962
where:
bonds (distance) C4'-P energy: -65.989
bonds (distance) P-C4' energy: -65.279
flat angles C4'-P-C4' energy: -68.491
flat angles P-C4'-P energy: -54.147
tors. eta vs tors. theta energy: -90.360
Dist. restrs. and SS energy: 3.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -1119.138182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.138182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.725778 (E_RNA)
where:
Base-Base interactions energy: -787.883
where: short stacking energy: -324.973
Base-Backbone interact. energy: -0.413
local terms energy: -334.429336
where:
bonds (distance) C4'-P energy: -56.076
bonds (distance) P-C4' energy: -72.935
flat angles C4'-P-C4' energy: -69.050
flat angles P-C4'-P energy: -49.836
tors. eta vs tors. theta energy: -86.532
Dist. restrs. and SS energy: 3.588 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -1078.358171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.358171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.538541 (E_RNA)
where:
Base-Base interactions energy: -748.168
where: short stacking energy: -314.715
Base-Backbone interact. energy: -0.975
local terms energy: -333.395196
where:
bonds (distance) C4'-P energy: -61.782
bonds (distance) P-C4' energy: -60.179
flat angles C4'-P-C4' energy: -67.728
flat angles P-C4'-P energy: -51.047
tors. eta vs tors. theta energy: -92.659
Dist. restrs. and SS energy: 4.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -1035.095133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.095133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.494730 (E_RNA)
where:
Base-Base interactions energy: -705.712
where: short stacking energy: -285.752
Base-Backbone interact. energy: -3.836
local terms energy: -329.946889
where:
bonds (distance) C4'-P energy: -69.202
bonds (distance) P-C4' energy: -67.702
flat angles C4'-P-C4' energy: -73.994
flat angles P-C4'-P energy: -40.121
tors. eta vs tors. theta energy: -78.928
Dist. restrs. and SS energy: 4.400 (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: 111
Temperature: 1.150000
Total energy: -984.652770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.652770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.815618 (E_RNA)
where:
Base-Base interactions energy: -696.299
where: short stacking energy: -267.376
Base-Backbone interact. energy: -1.130
local terms energy: -290.386796
where:
bonds (distance) C4'-P energy: -69.058
bonds (distance) P-C4' energy: -55.647
flat angles C4'-P-C4' energy: -68.368
flat angles P-C4'-P energy: -40.613
tors. eta vs tors. theta energy: -56.700
Dist. restrs. and SS energy: 3.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -907.220435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.220435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.523722 (E_RNA)
where:
Base-Base interactions energy: -643.337
where: short stacking energy: -260.524
Base-Backbone interact. energy: -2.168
local terms energy: -268.019198
where:
bonds (distance) C4'-P energy: -61.249
bonds (distance) P-C4' energy: -49.913
flat angles C4'-P-C4' energy: -63.132
flat angles P-C4'-P energy: -24.171
tors. eta vs tors. theta energy: -69.553
Dist. restrs. and SS energy: 6.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -890.036384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.036384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.681995 (E_RNA)
where:
Base-Base interactions energy: -622.109
where: short stacking energy: -236.883
Base-Backbone interact. energy: -2.683
local terms energy: -271.889313
where:
bonds (distance) C4'-P energy: -53.510
bonds (distance) P-C4' energy: -66.707
flat angles C4'-P-C4' energy: -57.009
flat angles P-C4'-P energy: -33.582
tors. eta vs tors. theta energy: -61.082
Dist. restrs. and SS energy: 6.646 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -893.498811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.498811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.854417 (E_RNA)
where:
Base-Base interactions energy: -627.060
where: short stacking energy: -250.668
Base-Backbone interact. energy: -0.817
local terms energy: -274.977448
where:
bonds (distance) C4'-P energy: -48.902
bonds (distance) P-C4' energy: -57.672
flat angles C4'-P-C4' energy: -64.265
flat angles P-C4'-P energy: -39.620
tors. eta vs tors. theta energy: -64.518
Dist. restrs. and SS energy: 9.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -871.333444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.333444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.155203 (E_RNA)
where:
Base-Base interactions energy: -605.431
where: short stacking energy: -248.976
Base-Backbone interact. energy: -0.385
local terms energy: -272.339160
where:
bonds (distance) C4'-P energy: -56.389
bonds (distance) P-C4' energy: -55.874
flat angles C4'-P-C4' energy: -58.271
flat angles P-C4'-P energy: -43.653
tors. eta vs tors. theta energy: -58.153
Dist. restrs. and SS energy: 6.822 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -1247.576253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.576253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.701643 (E_RNA)
where:
Base-Base interactions energy: -899.017
where: short stacking energy: -340.892
Base-Backbone interact. energy: -2.246
local terms energy: -349.438468
where:
bonds (distance) C4'-P energy: -69.195
bonds (distance) P-C4' energy: -69.720
flat angles C4'-P-C4' energy: -70.823
flat angles P-C4'-P energy: -45.251
tors. eta vs tors. theta energy: -94.449
Dist. restrs. and SS energy: 3.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -1142.406961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.406961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.956435 (E_RNA)
where:
Base-Base interactions energy: -794.304
where: short stacking energy: -336.952
Base-Backbone interact. energy: -2.039
local terms energy: -349.613449
where:
bonds (distance) C4'-P energy: -62.687
bonds (distance) P-C4' energy: -59.151
flat angles C4'-P-C4' energy: -79.882
flat angles P-C4'-P energy: -55.602
tors. eta vs tors. theta energy: -92.291
Dist. restrs. and SS energy: 3.549 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -1149.065914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.065914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.264769 (E_RNA)
where:
Base-Base interactions energy: -785.569
where: short stacking energy: -340.961
Base-Backbone interact. energy: -1.422
local terms energy: -365.273213
where:
bonds (distance) C4'-P energy: -59.323
bonds (distance) P-C4' energy: -63.988
flat angles C4'-P-C4' energy: -76.134
flat angles P-C4'-P energy: -60.479
tors. eta vs tors. theta energy: -105.349
Dist. restrs. and SS energy: 3.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -1058.842122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.842122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.134761 (E_RNA)
where:
Base-Base interactions energy: -725.504
where: short stacking energy: -301.222
Base-Backbone interact. energy: -1.542
local terms energy: -336.088833
where:
bonds (distance) C4'-P energy: -51.258
bonds (distance) P-C4' energy: -69.382
flat angles C4'-P-C4' energy: -67.789
flat angles P-C4'-P energy: -52.234
tors. eta vs tors. theta energy: -95.426
Dist. restrs. and SS energy: 4.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -1059.316130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.316130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.720789 (E_RNA)
where:
Base-Base interactions energy: -744.315
where: short stacking energy: -281.635
Base-Backbone interact. energy: -1.151
local terms energy: -320.255088
where:
bonds (distance) C4'-P energy: -64.197
bonds (distance) P-C4' energy: -58.902
flat angles C4'-P-C4' energy: -66.635
flat angles P-C4'-P energy: -48.212
tors. eta vs tors. theta energy: -82.310
Dist. restrs. and SS energy: 6.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -1012.792138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.792138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.299028 (E_RNA)
where:
Base-Base interactions energy: -707.556
where: short stacking energy: -278.960
Base-Backbone interact. energy: -2.930
local terms energy: -305.812259
where:
bonds (distance) C4'-P energy: -60.018
bonds (distance) P-C4' energy: -64.876
flat angles C4'-P-C4' energy: -69.300
flat angles P-C4'-P energy: -45.289
tors. eta vs tors. theta energy: -66.329
Dist. restrs. and SS energy: 3.507 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -925.310180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.310180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.133152 (E_RNA)
where:
Base-Base interactions energy: -634.020
where: short stacking energy: -269.365
Base-Backbone interact. energy: 2.126
local terms energy: -297.239434
where:
bonds (distance) C4'-P energy: -65.806
bonds (distance) P-C4' energy: -66.111
flat angles C4'-P-C4' energy: -62.008
flat angles P-C4'-P energy: -33.127
tors. eta vs tors. theta energy: -70.187
Dist. restrs. and SS energy: 3.823 (S_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: 112
Temperature: 1.250000
Total energy: -921.864308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.864308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.817181 (E_RNA)
where:
Base-Base interactions energy: -657.181
where: short stacking energy: -258.347
Base-Backbone interact. energy: 1.691
local terms energy: -272.327410
where:
bonds (distance) C4'-P energy: -54.900
bonds (distance) P-C4' energy: -59.189
flat angles C4'-P-C4' energy: -64.767
flat angles P-C4'-P energy: -37.736
tors. eta vs tors. theta energy: -55.734
Dist. restrs. and SS energy: 5.953 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -861.883394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.883394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.140416 (E_RNA)
where:
Base-Base interactions energy: -618.142
where: short stacking energy: -233.378
Base-Backbone interact. energy: 0.710
local terms energy: -250.708309
where:
bonds (distance) C4'-P energy: -59.264
bonds (distance) P-C4' energy: -52.026
flat angles C4'-P-C4' energy: -60.113
flat angles P-C4'-P energy: -24.815
tors. eta vs tors. theta energy: -54.489
Dist. restrs. and SS energy: 6.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -849.771931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.771931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.442694 (E_RNA)
where:
Base-Base interactions energy: -598.357
where: short stacking energy: -213.714
Base-Backbone interact. energy: -0.701
local terms energy: -255.384510
where:
bonds (distance) C4'-P energy: -64.998
bonds (distance) P-C4' energy: -54.644
flat angles C4'-P-C4' energy: -52.008
flat angles P-C4'-P energy: -40.611
tors. eta vs tors. theta energy: -43.124
Dist. restrs. and SS energy: 4.671 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -1216.061013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.061013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.890136 (E_RNA)
where:
Base-Base interactions energy: -870.804
where: short stacking energy: -321.523
Base-Backbone interact. energy: -1.515
local terms energy: -346.570915
where:
bonds (distance) C4'-P energy: -71.777
bonds (distance) P-C4' energy: -72.654
flat angles C4'-P-C4' energy: -65.672
flat angles P-C4'-P energy: -48.910
tors. eta vs tors. theta energy: -87.558
Dist. restrs. and SS energy: 2.829 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -1157.912005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.912005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.970689 (E_RNA)
where:
Base-Base interactions energy: -819.566
where: short stacking energy: -343.075
Base-Backbone interact. energy: -1.828
local terms energy: -340.576946
where:
bonds (distance) C4'-P energy: -62.956
bonds (distance) P-C4' energy: -69.871
flat angles C4'-P-C4' energy: -72.292
flat angles P-C4'-P energy: -41.914
tors. eta vs tors. theta energy: -93.545
Dist. restrs. and SS energy: 4.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -1106.044233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.044233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.836918 (E_RNA)
where:
Base-Base interactions energy: -770.622
where: short stacking energy: -322.420
Base-Backbone interact. energy: -0.573
local terms energy: -339.642126
where:
bonds (distance) C4'-P energy: -62.565
bonds (distance) P-C4' energy: -61.895
flat angles C4'-P-C4' energy: -74.486
flat angles P-C4'-P energy: -54.888
tors. eta vs tors. theta energy: -85.809
Dist. restrs. and SS energy: 4.793 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -1062.073250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.073250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.833931 (E_RNA)
where:
Base-Base interactions energy: -737.051
where: short stacking energy: -311.246
Base-Backbone interact. energy: -1.197
local terms energy: -326.585049
where:
bonds (distance) C4'-P energy: -67.511
bonds (distance) P-C4' energy: -60.186
flat angles C4'-P-C4' energy: -63.368
flat angles P-C4'-P energy: -52.825
tors. eta vs tors. theta energy: -82.695
Dist. restrs. and SS energy: 2.761 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -1042.058649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.058649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.220804 (E_RNA)
where:
Base-Base interactions energy: -701.831
where: short stacking energy: -294.774
Base-Backbone interact. energy: -1.330
local terms energy: -343.060464
where:
bonds (distance) C4'-P energy: -60.338
bonds (distance) P-C4' energy: -66.962
flat angles C4'-P-C4' energy: -71.065
flat angles P-C4'-P energy: -47.529
tors. eta vs tors. theta energy: -97.166
Dist. restrs. and SS energy: 4.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -1011.880679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.880679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.279932 (E_RNA)
where:
Base-Base interactions energy: -718.827
where: short stacking energy: -267.892
Base-Backbone interact. energy: -0.624
local terms energy: -296.828551
where:
bonds (distance) C4'-P energy: -54.713
bonds (distance) P-C4' energy: -52.833
flat angles C4'-P-C4' energy: -69.151
flat angles P-C4'-P energy: -51.570
tors. eta vs tors. theta energy: -68.562
Dist. restrs. and SS energy: 4.399 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -903.548366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.548366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.298882 (E_RNA)
where:
Base-Base interactions energy: -624.809
where: short stacking energy: -240.775
Base-Backbone interact. energy: -0.540
local terms energy: -286.949701
where:
bonds (distance) C4'-P energy: -61.296
bonds (distance) P-C4' energy: -59.611
flat angles C4'-P-C4' energy: -66.828
flat angles P-C4'-P energy: -39.108
tors. eta vs tors. theta energy: -60.107
Dist. restrs. and SS energy: 8.751 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -885.673080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.673080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.151172 (E_RNA)
where:
Base-Base interactions energy: -645.402
where: short stacking energy: -271.344
Base-Backbone interact. energy: -1.535
local terms energy: -243.214652
where:
bonds (distance) C4'-P energy: -35.201
bonds (distance) P-C4' energy: -57.708
flat angles C4'-P-C4' energy: -62.916
flat angles P-C4'-P energy: -20.379
tors. eta vs tors. theta energy: -67.011
Dist. restrs. and SS energy: 4.478 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -850.453158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.453158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.172739 (E_RNA)
where:
Base-Base interactions energy: -595.655
where: short stacking energy: -236.758
Base-Backbone interact. energy: -2.748
local terms energy: -263.769848
where:
bonds (distance) C4'-P energy: -49.704
bonds (distance) P-C4' energy: -63.414
flat angles C4'-P-C4' energy: -52.847
flat angles P-C4'-P energy: -41.368
tors. eta vs tors. theta energy: -56.437
Dist. restrs. and SS energy: 11.720 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -808.933558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.933558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.621740 (E_RNA)
where:
Base-Base interactions energy: -559.255
where: short stacking energy: -220.314
Base-Backbone interact. energy: 2.938
local terms energy: -265.304272
where:
bonds (distance) C4'-P energy: -62.105
bonds (distance) P-C4' energy: -57.083
flat angles C4'-P-C4' energy: -55.598
flat angles P-C4'-P energy: -31.751
tors. eta vs tors. theta energy: -58.768
Dist. restrs. and SS energy: 12.688 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -1218.820351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.820351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.546191 (E_RNA)
where:
Base-Base interactions energy: -859.610
where: short stacking energy: -332.506
Base-Backbone interact. energy: -1.719
local terms energy: -361.217435
where:
bonds (distance) C4'-P energy: -65.804
bonds (distance) P-C4' energy: -72.389
flat angles C4'-P-C4' energy: -76.199
flat angles P-C4'-P energy: -59.943
tors. eta vs tors. theta energy: -86.883
Dist. restrs. and SS energy: 3.726 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -1144.541884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.541884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.338449 (E_RNA)
where:
Base-Base interactions energy: -797.424
where: short stacking energy: -338.458
Base-Backbone interact. energy: -0.148
local terms energy: -350.766257
where:
bonds (distance) C4'-P energy: -61.569
bonds (distance) P-C4' energy: -62.131
flat angles C4'-P-C4' energy: -80.786
flat angles P-C4'-P energy: -50.666
tors. eta vs tors. theta energy: -95.613
Dist. restrs. and SS energy: 3.797 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -1105.546673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.546673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.921678 (E_RNA)
where:
Base-Base interactions energy: -753.479
where: short stacking energy: -320.028
Base-Backbone interact. energy: -1.499
local terms energy: -353.943596
where:
bonds (distance) C4'-P energy: -70.513
bonds (distance) P-C4' energy: -64.611
flat angles C4'-P-C4' energy: -82.310
flat angles P-C4'-P energy: -55.304
tors. eta vs tors. theta energy: -81.206
Dist. restrs. and SS energy: 3.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -1096.821294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.821294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.941703 (E_RNA)
where:
Base-Base interactions energy: -771.543
where: short stacking energy: -311.861
Base-Backbone interact. energy: 0.541
local terms energy: -328.940017
where:
bonds (distance) C4'-P energy: -58.740
bonds (distance) P-C4' energy: -63.724
flat angles C4'-P-C4' energy: -79.654
flat angles P-C4'-P energy: -47.932
tors. eta vs tors. theta energy: -78.889
Dist. restrs. and SS energy: 3.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -1030.996066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.996066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.808366 (E_RNA)
where:
Base-Base interactions energy: -709.903
where: short stacking energy: -297.489
Base-Backbone interact. energy: -0.726
local terms energy: -323.179238
where:
bonds (distance) C4'-P energy: -68.840
bonds (distance) P-C4' energy: -63.156
flat angles C4'-P-C4' energy: -68.615
flat angles P-C4'-P energy: -39.690
tors. eta vs tors. theta energy: -82.879
Dist. restrs. and SS energy: 2.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -993.893364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.893364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.900286 (E_RNA)
where:
Base-Base interactions energy: -713.988
where: short stacking energy: -258.540
Base-Backbone interact. energy: -3.463
local terms energy: -279.449764
where:
bonds (distance) C4'-P energy: -55.289
bonds (distance) P-C4' energy: -61.552
flat angles C4'-P-C4' energy: -58.960
flat angles P-C4'-P energy: -42.053
tors. eta vs tors. theta energy: -61.596
Dist. restrs. and SS energy: 3.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -911.487192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.487192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.900995 (E_RNA)
where:
Base-Base interactions energy: -650.048
where: short stacking energy: -252.434
Base-Backbone interact. energy: -1.922
local terms energy: -265.930907
where:
bonds (distance) C4'-P energy: -55.281
bonds (distance) P-C4' energy: -55.830
flat angles C4'-P-C4' energy: -63.608
flat angles P-C4'-P energy: -31.056
tors. eta vs tors. theta energy: -60.156
Dist. restrs. and SS energy: 6.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -875.092212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.092212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.982583 (E_RNA)
where:
Base-Base interactions energy: -617.990
where: short stacking energy: -240.223
Base-Backbone interact. energy: 1.063
local terms energy: -262.055912
where:
bonds (distance) C4'-P energy: -56.235
bonds (distance) P-C4' energy: -60.179
flat angles C4'-P-C4' energy: -59.035
flat angles P-C4'-P energy: -32.862
tors. eta vs tors. theta energy: -53.745
Dist. restrs. and SS energy: 3.890 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -872.367030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.367030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.065187 (E_RNA)
where:
Base-Base interactions energy: -619.013
where: short stacking energy: -241.984
Base-Backbone interact. energy: 3.434
local terms energy: -271.485477
where:
bonds (distance) C4'-P energy: -52.908
bonds (distance) P-C4' energy: -54.594
flat angles C4'-P-C4' energy: -63.435
flat angles P-C4'-P energy: -36.646
tors. eta vs tors. theta energy: -63.901
Dist. restrs. and SS energy: 14.698 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -797.592806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.592806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.908989 (E_RNA)
where:
Base-Base interactions energy: -560.843
where: short stacking energy: -217.219
Base-Backbone interact. energy: 1.921
local terms energy: -249.986436
where:
bonds (distance) C4'-P energy: -52.716
bonds (distance) P-C4' energy: -40.566
flat angles C4'-P-C4' energy: -59.062
flat angles P-C4'-P energy: -45.273
tors. eta vs tors. theta energy: -52.369
Dist. restrs. and SS energy: 11.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -1211.904067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.904067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.221143 (E_RNA)
where:
Base-Base interactions energy: -858.909
where: short stacking energy: -344.104
Base-Backbone interact. energy: -2.656
local terms energy: -353.656366
where:
bonds (distance) C4'-P energy: -67.947
bonds (distance) P-C4' energy: -62.543
flat angles C4'-P-C4' energy: -78.661
flat angles P-C4'-P energy: -54.553
tors. eta vs tors. theta energy: -89.952
Dist. restrs. and SS energy: 3.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -1155.667184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.667184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.695850 (E_RNA)
where:
Base-Base interactions energy: -807.414
where: short stacking energy: -331.404
Base-Backbone interact. energy: -3.079
local terms energy: -348.203068
where:
bonds (distance) C4'-P energy: -62.715
bonds (distance) P-C4' energy: -63.342
flat angles C4'-P-C4' energy: -78.436
flat angles P-C4'-P energy: -46.597
tors. eta vs tors. theta energy: -97.112
Dist. restrs. and SS energy: 3.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -1121.197391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.197391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.462287 (E_RNA)
where:
Base-Base interactions energy: -775.963
where: short stacking energy: -329.790
Base-Backbone interact. energy: 1.624
local terms energy: -350.123150
where:
bonds (distance) C4'-P energy: -54.774
bonds (distance) P-C4' energy: -73.476
flat angles C4'-P-C4' energy: -70.777
flat angles P-C4'-P energy: -53.705
tors. eta vs tors. theta energy: -97.391
Dist. restrs. and SS energy: 3.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -1096.726149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.726149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.377631 (E_RNA)
where:
Base-Base interactions energy: -771.593
where: short stacking energy: -311.155
Base-Backbone interact. energy: -1.507
local terms energy: -326.277259
where:
bonds (distance) C4'-P energy: -67.609
bonds (distance) P-C4' energy: -55.636
flat angles C4'-P-C4' energy: -70.582
flat angles P-C4'-P energy: -48.067
tors. eta vs tors. theta energy: -84.383
Dist. restrs. and SS energy: 2.651 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -1011.701053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.701053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.820742 (E_RNA)
where:
Base-Base interactions energy: -711.466
where: short stacking energy: -282.861
Base-Backbone interact. energy: -2.091
local terms energy: -301.264000
where:
bonds (distance) C4'-P energy: -57.267
bonds (distance) P-C4' energy: -59.844
flat angles C4'-P-C4' energy: -60.771
flat angles P-C4'-P energy: -54.491
tors. eta vs tors. theta energy: -68.891
Dist. restrs. and SS energy: 3.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -1001.411834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.411834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.056441 (E_RNA)
where:
Base-Base interactions energy: -727.864
where: short stacking energy: -286.267
Base-Backbone interact. energy: -2.814
local terms energy: -274.378404
where:
bonds (distance) C4'-P energy: -43.921
bonds (distance) P-C4' energy: -59.846
flat angles C4'-P-C4' energy: -68.971
flat angles P-C4'-P energy: -28.569
tors. eta vs tors. theta energy: -73.071
Dist. restrs. and SS energy: 3.645 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -932.753764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.753764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.656444 (E_RNA)
where:
Base-Base interactions energy: -655.516
where: short stacking energy: -252.567
Base-Backbone interact. energy: -2.622
local terms energy: -278.518058
where:
bonds (distance) C4'-P energy: -66.162
bonds (distance) P-C4' energy: -55.072
flat angles C4'-P-C4' energy: -65.577
flat angles P-C4'-P energy: -32.739
tors. eta vs tors. theta energy: -58.967
Dist. restrs. and SS energy: 3.903 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -896.214670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.214670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.972012 (E_RNA)
where:
Base-Base interactions energy: -625.125
where: short stacking energy: -246.820
Base-Backbone interact. energy: 3.294
local terms energy: -278.140222
where:
bonds (distance) C4'-P energy: -46.955
bonds (distance) P-C4' energy: -52.733
flat angles C4'-P-C4' energy: -74.051
flat angles P-C4'-P energy: -45.078
tors. eta vs tors. theta energy: -59.323
Dist. restrs. and SS energy: 3.757 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -851.094229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.094229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.908710 (E_RNA)
where:
Base-Base interactions energy: -588.301
where: short stacking energy: -248.111
Base-Backbone interact. energy: -2.120
local terms energy: -266.487393
where:
bonds (distance) C4'-P energy: -57.798
bonds (distance) P-C4' energy: -61.780
flat angles C4'-P-C4' energy: -55.276
flat angles P-C4'-P energy: -38.941
tors. eta vs tors. theta energy: -52.692
Dist. restrs. and SS energy: 5.814 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -809.412179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.412179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.458668 (E_RNA)
where:
Base-Base interactions energy: -589.701
where: short stacking energy: -221.081
Base-Backbone interact. energy: 9.168
local terms energy: -235.925422
where:
bonds (distance) C4'-P energy: -49.061
bonds (distance) P-C4' energy: -58.844
flat angles C4'-P-C4' energy: -41.498
flat angles P-C4'-P energy: -33.701
tors. eta vs tors. theta energy: -52.821
Dist. restrs. and SS energy: 7.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -1224.706283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.706283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.316668 (E_RNA)
where:
Base-Base interactions energy: -867.852
where: short stacking energy: -344.211
Base-Backbone interact. energy: -1.108
local terms energy: -358.357093
where:
bonds (distance) C4'-P energy: -66.005
bonds (distance) P-C4' energy: -78.200
flat angles C4'-P-C4' energy: -70.151
flat angles P-C4'-P energy: -49.364
tors. eta vs tors. theta energy: -94.637
Dist. restrs. and SS energy: 2.610 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -1175.891977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.891977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.139601 (E_RNA)
where:
Base-Base interactions energy: -809.375
where: short stacking energy: -327.034
Base-Backbone interact. energy: -0.349
local terms energy: -369.414747
where:
bonds (distance) C4'-P energy: -76.534
bonds (distance) P-C4' energy: -70.491
flat angles C4'-P-C4' energy: -75.263
flat angles P-C4'-P energy: -54.920
tors. eta vs tors. theta energy: -92.205
Dist. restrs. and SS energy: 3.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -1131.661169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.661169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.258733 (E_RNA)
where:
Base-Base interactions energy: -797.541
where: short stacking energy: -329.211
Base-Backbone interact. energy: -0.502
local terms energy: -337.215644
where:
bonds (distance) C4'-P energy: -70.087
bonds (distance) P-C4' energy: -65.456
flat angles C4'-P-C4' energy: -72.563
flat angles P-C4'-P energy: -46.323
tors. eta vs tors. theta energy: -82.786
Dist. restrs. and SS energy: 3.598 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -1105.550720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.550720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.434262 (E_RNA)
where:
Base-Base interactions energy: -768.640
where: short stacking energy: -317.085
Base-Backbone interact. energy: -2.895
local terms energy: -339.899514
where:
bonds (distance) C4'-P energy: -72.262
bonds (distance) P-C4' energy: -58.568
flat angles C4'-P-C4' energy: -70.367
flat angles P-C4'-P energy: -49.736
tors. eta vs tors. theta energy: -88.968
Dist. restrs. and SS energy: 5.884 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -1035.126642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.126642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.032331 (E_RNA)
where:
Base-Base interactions energy: -730.892
where: short stacking energy: -292.734
Base-Backbone interact. energy: -1.295
local terms energy: -305.844706
where:
bonds (distance) C4'-P energy: -63.352
bonds (distance) P-C4' energy: -60.220
flat angles C4'-P-C4' energy: -60.356
flat angles P-C4'-P energy: -48.253
tors. eta vs tors. theta energy: -73.663
Dist. restrs. and SS energy: 2.906 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -998.095484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.095484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.778407 (E_RNA)
where:
Base-Base interactions energy: -689.441
where: short stacking energy: -289.129
Base-Backbone interact. energy: -0.834
local terms energy: -311.502753
where:
bonds (distance) C4'-P energy: -63.745
bonds (distance) P-C4' energy: -67.929
flat angles C4'-P-C4' energy: -69.103
flat angles P-C4'-P energy: -38.122
tors. eta vs tors. theta energy: -72.604
Dist. restrs. and SS energy: 3.683 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -921.979102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.979102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.011496 (E_RNA)
where:
Base-Base interactions energy: -641.086
where: short stacking energy: -272.234
Base-Backbone interact. energy: 2.437
local terms energy: -289.363337
where:
bonds (distance) C4'-P energy: -65.068
bonds (distance) P-C4' energy: -62.433
flat angles C4'-P-C4' energy: -51.498
flat angles P-C4'-P energy: -39.247
tors. eta vs tors. theta energy: -71.117
Dist. restrs. and SS energy: 6.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -880.321745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.321745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.653904 (E_RNA)
where:
Base-Base interactions energy: -617.468
where: short stacking energy: -246.349
Base-Backbone interact. energy: -0.470
local terms energy: -266.716486
where:
bonds (distance) C4'-P energy: -55.113
bonds (distance) P-C4' energy: -52.986
flat angles C4'-P-C4' energy: -63.220
flat angles P-C4'-P energy: -33.230
tors. eta vs tors. theta energy: -62.168
Dist. restrs. and SS energy: 4.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -879.775374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.775374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.486384 (E_RNA)
where:
Base-Base interactions energy: -639.421
where: short stacking energy: -250.597
Base-Backbone interact. energy: 3.432
local terms energy: -249.497407
where:
bonds (distance) C4'-P energy: -46.561
bonds (distance) P-C4' energy: -49.008
flat angles C4'-P-C4' energy: -51.941
flat angles P-C4'-P energy: -43.333
tors. eta vs tors. theta energy: -58.655
Dist. restrs. and SS energy: 5.711 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -864.471315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.471315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.303947 (E_RNA)
where:
Base-Base interactions energy: -610.271
where: short stacking energy: -240.265
Base-Backbone interact. energy: -0.106
local terms energy: -263.927610
where:
bonds (distance) C4'-P energy: -46.512
bonds (distance) P-C4' energy: -61.988
flat angles C4'-P-C4' energy: -56.637
flat angles P-C4'-P energy: -45.467
tors. eta vs tors. theta energy: -53.324
Dist. restrs. and SS energy: 9.833 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -1228.301216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.301216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.069792 (E_RNA)
where:
Base-Base interactions energy: -884.247
where: short stacking energy: -333.618
Base-Backbone interact. energy: 0.218
local terms energy: -347.041041
where:
bonds (distance) C4'-P energy: -66.103
bonds (distance) P-C4' energy: -62.236
flat angles C4'-P-C4' energy: -66.855
flat angles P-C4'-P energy: -59.926
tors. eta vs tors. theta energy: -91.921
Dist. restrs. and SS energy: 2.769 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -1168.924850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.924850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.745715 (E_RNA)
where:
Base-Base interactions energy: -795.013
where: short stacking energy: -324.645
Base-Backbone interact. energy: -0.722
local terms energy: -376.011107
where:
bonds (distance) C4'-P energy: -73.046
bonds (distance) P-C4' energy: -77.899
flat angles C4'-P-C4' energy: -69.764
flat angles P-C4'-P energy: -59.795
tors. eta vs tors. theta energy: -95.507
Dist. restrs. and SS energy: 2.821 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -1129.670543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.670543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.653075 (E_RNA)
where:
Base-Base interactions energy: -768.401
where: short stacking energy: -327.438
Base-Backbone interact. energy: -0.924
local terms energy: -363.328297
where:
bonds (distance) C4'-P energy: -68.864
bonds (distance) P-C4' energy: -75.630
flat angles C4'-P-C4' energy: -80.213
flat angles P-C4'-P energy: -46.250
tors. eta vs tors. theta energy: -92.371
Dist. restrs. and SS energy: 2.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -1077.181758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.181758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.329672 (E_RNA)
where:
Base-Base interactions energy: -752.800
where: short stacking energy: -321.564
Base-Backbone interact. energy: -2.070
local terms energy: -326.459698
where:
bonds (distance) C4'-P energy: -49.030
bonds (distance) P-C4' energy: -66.879
flat angles C4'-P-C4' energy: -72.373
flat angles P-C4'-P energy: -49.116
tors. eta vs tors. theta energy: -89.061
Dist. restrs. and SS energy: 4.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -1039.781483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.781483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.942577 (E_RNA)
where:
Base-Base interactions energy: -724.238
where: short stacking energy: -304.510
Base-Backbone interact. energy: -0.029
local terms energy: -318.675508
where:
bonds (distance) C4'-P energy: -56.040
bonds (distance) P-C4' energy: -72.540
flat angles C4'-P-C4' energy: -59.891
flat angles P-C4'-P energy: -46.789
tors. eta vs tors. theta energy: -83.415
Dist. restrs. and SS energy: 3.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -962.462281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.462281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.955263 (E_RNA)
where:
Base-Base interactions energy: -667.095
where: short stacking energy: -269.238
Base-Backbone interact. energy: -0.824
local terms energy: -299.036828
where:
bonds (distance) C4'-P energy: -58.726
bonds (distance) P-C4' energy: -66.846
flat angles C4'-P-C4' energy: -70.107
flat angles P-C4'-P energy: -37.469
tors. eta vs tors. theta energy: -65.889
Dist. restrs. and SS energy: 4.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -939.184146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.184146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.205936 (E_RNA)
where:
Base-Base interactions energy: -674.205
where: short stacking energy: -258.490
Base-Backbone interact. energy: -0.111
local terms energy: -271.889929
where:
bonds (distance) C4'-P energy: -52.805
bonds (distance) P-C4' energy: -63.213
flat angles C4'-P-C4' energy: -53.821
flat angles P-C4'-P energy: -36.874
tors. eta vs tors. theta energy: -65.177
Dist. restrs. and SS energy: 7.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -923.291691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.291691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.918828 (E_RNA)
where:
Base-Base interactions energy: -640.938
where: short stacking energy: -249.623
Base-Backbone interact. energy: 1.651
local terms energy: -289.631320
where:
bonds (distance) C4'-P energy: -48.226
bonds (distance) P-C4' energy: -63.650
flat angles C4'-P-C4' energy: -66.757
flat angles P-C4'-P energy: -46.346
tors. eta vs tors. theta energy: -64.653
Dist. restrs. and SS energy: 5.627 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -870.343303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.343303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.580296 (E_RNA)
where:
Base-Base interactions energy: -613.000
where: short stacking energy: -243.450
Base-Backbone interact. energy: -2.362
local terms energy: -263.217753
where:
bonds (distance) C4'-P energy: -53.669
bonds (distance) P-C4' energy: -59.972
flat angles C4'-P-C4' energy: -62.524
flat angles P-C4'-P energy: -30.852
tors. eta vs tors. theta energy: -56.201
Dist. restrs. and SS energy: 8.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -834.565637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.565637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.720005 (E_RNA)
where:
Base-Base interactions energy: -589.682
where: short stacking energy: -228.542
Base-Backbone interact. energy: -0.191
local terms energy: -253.846708
where:
bonds (distance) C4'-P energy: -58.186
bonds (distance) P-C4' energy: -59.939
flat angles C4'-P-C4' energy: -49.379
flat angles P-C4'-P energy: -35.009
tors. eta vs tors. theta energy: -51.334
Dist. restrs. and SS energy: 9.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -1210.719366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.719366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.171942 (E_RNA)
where:
Base-Base interactions energy: -878.143
where: short stacking energy: -317.034
Base-Backbone interact. energy: -1.473
local terms energy: -334.556015
where:
bonds (distance) C4'-P energy: -59.101
bonds (distance) P-C4' energy: -61.740
flat angles C4'-P-C4' energy: -72.904
flat angles P-C4'-P energy: -55.687
tors. eta vs tors. theta energy: -85.124
Dist. restrs. and SS energy: 3.453 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -1180.559211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.559211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.413344 (E_RNA)
where:
Base-Base interactions energy: -820.425
where: short stacking energy: -351.341
Base-Backbone interact. energy: -3.346
local terms energy: -360.641960
where:
bonds (distance) C4'-P energy: -63.755
bonds (distance) P-C4' energy: -66.109
flat angles C4'-P-C4' energy: -80.073
flat angles P-C4'-P energy: -50.396
tors. eta vs tors. theta energy: -100.308
Dist. restrs. and SS energy: 3.854 (S_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: 118
Temperature: 1.000000
Total energy: -1121.217704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.217704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.721651 (E_RNA)
where:
Base-Base interactions energy: -810.542
where: short stacking energy: -319.954
Base-Backbone interact. energy: -2.008
local terms energy: -313.171779
where:
bonds (distance) C4'-P energy: -65.085
bonds (distance) P-C4' energy: -58.525
flat angles C4'-P-C4' energy: -60.267
flat angles P-C4'-P energy: -48.356
tors. eta vs tors. theta energy: -80.939
Dist. restrs. and SS energy: 4.504 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -1099.389533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.389533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.163204 (E_RNA)
where:
Base-Base interactions energy: -773.455
where: short stacking energy: -316.415
Base-Backbone interact. energy: -0.960
local terms energy: -327.748010
where:
bonds (distance) C4'-P energy: -55.126
bonds (distance) P-C4' energy: -62.982
flat angles C4'-P-C4' energy: -73.180
flat angles P-C4'-P energy: -48.111
tors. eta vs tors. theta energy: -88.349
Dist. restrs. and SS energy: 2.774 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -976.307455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.307455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.813198 (E_RNA)
where:
Base-Base interactions energy: -675.949
where: short stacking energy: -267.156
Base-Backbone interact. energy: 0.112
local terms energy: -304.976260
where:
bonds (distance) C4'-P energy: -63.437
bonds (distance) P-C4' energy: -59.674
flat angles C4'-P-C4' energy: -64.650
flat angles P-C4'-P energy: -46.475
tors. eta vs tors. theta energy: -70.740
Dist. restrs. and SS energy: 4.506 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -1018.454077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.454077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.688049 (E_RNA)
where:
Base-Base interactions energy: -714.002
where: short stacking energy: -268.649
Base-Backbone interact. energy: -3.976
local terms energy: -303.710455
where:
bonds (distance) C4'-P energy: -62.607
bonds (distance) P-C4' energy: -59.260
flat angles C4'-P-C4' energy: -65.326
flat angles P-C4'-P energy: -39.990
tors. eta vs tors. theta energy: -76.527
Dist. restrs. and SS energy: 3.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -961.180104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.180104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.913502 (E_RNA)
where:
Base-Base interactions energy: -676.275
where: short stacking energy: -274.038
Base-Backbone interact. energy: -1.258
local terms energy: -288.380977
where:
bonds (distance) C4'-P energy: -50.229
bonds (distance) P-C4' energy: -63.783
flat angles C4'-P-C4' energy: -53.973
flat angles P-C4'-P energy: -40.902
tors. eta vs tors. theta energy: -79.493
Dist. restrs. and SS energy: 4.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -889.503135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.503135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.616028 (E_RNA)
where:
Base-Base interactions energy: -630.055
where: short stacking energy: -238.816
Base-Backbone interact. energy: -0.031
local terms energy: -268.529649
where:
bonds (distance) C4'-P energy: -44.915
bonds (distance) P-C4' energy: -62.347
flat angles C4'-P-C4' energy: -57.687
flat angles P-C4'-P energy: -39.979
tors. eta vs tors. theta energy: -63.602
Dist. restrs. and SS energy: 9.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -868.336794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.336794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.739525 (E_RNA)
where:
Base-Base interactions energy: -621.183
where: short stacking energy: -248.499
Base-Backbone interact. energy: 1.802
local terms energy: -257.358625
where:
bonds (distance) C4'-P energy: -49.435
bonds (distance) P-C4' energy: -51.617
flat angles C4'-P-C4' energy: -65.124
flat angles P-C4'-P energy: -31.665
tors. eta vs tors. theta energy: -59.517
Dist. restrs. and SS energy: 8.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -882.412048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.412048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.326520 (E_RNA)
where:
Base-Base interactions energy: -617.303
where: short stacking energy: -249.467
Base-Backbone interact. energy: -1.505
local terms energy: -269.518570
where:
bonds (distance) C4'-P energy: -56.140
bonds (distance) P-C4' energy: -55.120
flat angles C4'-P-C4' energy: -57.133
flat angles P-C4'-P energy: -39.066
tors. eta vs tors. theta energy: -62.060
Dist. restrs. and SS energy: 5.914 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -1214.718944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.718944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.632483 (E_RNA)
where:
Base-Base interactions energy: -858.660
where: short stacking energy: -333.976
Base-Backbone interact. energy: -1.345
local terms energy: -357.627634
where:
bonds (distance) C4'-P energy: -69.310
bonds (distance) P-C4' energy: -68.619
flat angles C4'-P-C4' energy: -75.211
flat angles P-C4'-P energy: -52.301
tors. eta vs tors. theta energy: -92.188
Dist. restrs. and SS energy: 2.914 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -1195.411278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.411278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.405000 (E_RNA)
where:
Base-Base interactions energy: -826.646
where: short stacking energy: -355.149
Base-Backbone interact. energy: -1.663
local terms energy: -371.096575
where:
bonds (distance) C4'-P energy: -65.672
bonds (distance) P-C4' energy: -63.920
flat angles C4'-P-C4' energy: -84.185
flat angles P-C4'-P energy: -45.962
tors. eta vs tors. theta energy: -111.359
Dist. restrs. and SS energy: 3.994 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -1128.633237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.633237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.755716 (E_RNA)
where:
Base-Base interactions energy: -807.117
where: short stacking energy: -320.483
Base-Backbone interact. energy: 0.540
local terms energy: -326.178248
where:
bonds (distance) C4'-P energy: -59.477
bonds (distance) P-C4' energy: -73.793
flat angles C4'-P-C4' energy: -66.480
flat angles P-C4'-P energy: -41.037
tors. eta vs tors. theta energy: -85.391
Dist. restrs. and SS energy: 4.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -1075.375232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.375232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.214322 (E_RNA)
where:
Base-Base interactions energy: -732.182
where: short stacking energy: -300.837
Base-Backbone interact. energy: 0.158
local terms energy: -346.189710
where:
bonds (distance) C4'-P energy: -69.705
bonds (distance) P-C4' energy: -69.968
flat angles C4'-P-C4' energy: -81.511
flat angles P-C4'-P energy: -41.660
tors. eta vs tors. theta energy: -83.345
Dist. restrs. and SS energy: 2.839 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -983.476443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.476443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.384572 (E_RNA)
where:
Base-Base interactions energy: -687.919
where: short stacking energy: -270.344
Base-Backbone interact. energy: -1.224
local terms energy: -300.241215
where:
bonds (distance) C4'-P energy: -61.992
bonds (distance) P-C4' energy: -59.563
flat angles C4'-P-C4' energy: -62.873
flat angles P-C4'-P energy: -42.836
tors. eta vs tors. theta energy: -72.977
Dist. restrs. and SS energy: 5.908 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -1015.310449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.310449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.047821 (E_RNA)
where:
Base-Base interactions energy: -705.998
where: short stacking energy: -284.036
Base-Backbone interact. energy: -3.339
local terms energy: -309.710115
where:
bonds (distance) C4'-P energy: -55.823
bonds (distance) P-C4' energy: -65.528
flat angles C4'-P-C4' energy: -69.812
flat angles P-C4'-P energy: -41.222
tors. eta vs tors. theta energy: -77.326
Dist. restrs. and SS energy: 3.737 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -965.094710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.094710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.689211 (E_RNA)
where:
Base-Base interactions energy: -668.005
where: short stacking energy: -266.037
Base-Backbone interact. energy: -2.351
local terms energy: -299.332986
where:
bonds (distance) C4'-P energy: -64.921
bonds (distance) P-C4' energy: -63.635
flat angles C4'-P-C4' energy: -68.847
flat angles P-C4'-P energy: -30.593
tors. eta vs tors. theta energy: -71.336
Dist. restrs. and SS energy: 4.595 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -889.513267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.513267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.985301 (E_RNA)
where:
Base-Base interactions energy: -618.170
where: short stacking energy: -246.398
Base-Backbone interact. energy: 3.664
local terms energy: -282.479269
where:
bonds (distance) C4'-P energy: -41.814
bonds (distance) P-C4' energy: -68.904
flat angles C4'-P-C4' energy: -67.626
flat angles P-C4'-P energy: -37.374
tors. eta vs tors. theta energy: -66.761
Dist. restrs. and SS energy: 7.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -856.638724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.638724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.931238 (E_RNA)
where:
Base-Base interactions energy: -606.267
where: short stacking energy: -254.525
Base-Backbone interact. energy: -0.813
local terms energy: -252.851154
where:
bonds (distance) C4'-P energy: -57.175
bonds (distance) P-C4' energy: -58.123
flat angles C4'-P-C4' energy: -48.667
flat angles P-C4'-P energy: -29.436
tors. eta vs tors. theta energy: -59.450
Dist. restrs. and SS energy: 3.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -870.470035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.470035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.641647 (E_RNA)
where:
Base-Base interactions energy: -590.204
where: short stacking energy: -233.709
Base-Backbone interact. energy: -1.010
local terms energy: -285.427351
where:
bonds (distance) C4'-P energy: -59.746
bonds (distance) P-C4' energy: -52.598
flat angles C4'-P-C4' energy: -68.252
flat angles P-C4'-P energy: -46.173
tors. eta vs tors. theta energy: -58.659
Dist. restrs. and SS energy: 6.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -1218.540480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.540480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.559348 (E_RNA)
where:
Base-Base interactions energy: -872.702
where: short stacking energy: -345.426
Base-Backbone interact. energy: -2.952
local terms energy: -345.904809
where:
bonds (distance) C4'-P energy: -59.987
bonds (distance) P-C4' energy: -71.668
flat angles C4'-P-C4' energy: -76.203
flat angles P-C4'-P energy: -53.498
tors. eta vs tors. theta energy: -84.548
Dist. restrs. and SS energy: 3.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -1178.195307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.195307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.166352 (E_RNA)
where:
Base-Base interactions energy: -822.507
where: short stacking energy: -324.180
Base-Backbone interact. energy: -0.912
local terms energy: -357.747216
where:
bonds (distance) C4'-P energy: -67.633
bonds (distance) P-C4' energy: -64.526
flat angles C4'-P-C4' energy: -74.779
flat angles P-C4'-P energy: -52.380
tors. eta vs tors. theta energy: -98.430
Dist. restrs. and SS energy: 2.971 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -1157.965025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.965025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.968352 (E_RNA)
where:
Base-Base interactions energy: -824.294
where: short stacking energy: -333.508
Base-Backbone interact. energy: 0.693
local terms energy: -338.367546
where:
bonds (distance) C4'-P energy: -65.054
bonds (distance) P-C4' energy: -65.577
flat angles C4'-P-C4' energy: -75.977
flat angles P-C4'-P energy: -45.262
tors. eta vs tors. theta energy: -86.497
Dist. restrs. and SS energy: 4.003 (S_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: 120
Temperature: 1.050000
Total energy: -1079.969756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.969756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.613374 (E_RNA)
where:
Base-Base interactions energy: -731.188
where: short stacking energy: -288.688
Base-Backbone interact. energy: -1.464
local terms energy: -350.961178
where:
bonds (distance) C4'-P energy: -65.298
bonds (distance) P-C4' energy: -73.313
flat angles C4'-P-C4' energy: -70.899
flat angles P-C4'-P energy: -51.831
tors. eta vs tors. theta energy: -89.620
Dist. restrs. and SS energy: 3.644 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -1045.731092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.731092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.540019 (E_RNA)
where:
Base-Base interactions energy: -724.921
where: short stacking energy: -302.476
Base-Backbone interact. energy: -1.520
local terms energy: -324.099080
where:
bonds (distance) C4'-P energy: -65.007
bonds (distance) P-C4' energy: -68.343
flat angles C4'-P-C4' energy: -76.243
flat angles P-C4'-P energy: -47.638
tors. eta vs tors. theta energy: -66.869
Dist. restrs. and SS energy: 4.809 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -970.807119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.807119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.023775 (E_RNA)
where:
Base-Base interactions energy: -671.405
where: short stacking energy: -266.235
Base-Backbone interact. energy: -1.268
local terms energy: -305.350468
where:
bonds (distance) C4'-P energy: -58.686
bonds (distance) P-C4' energy: -70.722
flat angles C4'-P-C4' energy: -63.970
flat angles P-C4'-P energy: -45.343
tors. eta vs tors. theta energy: -66.629
Dist. restrs. and SS energy: 7.217 (S_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: 120
Temperature: 1.200000
Total energy: -934.611461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.611461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.106978 (E_RNA)
where:
Base-Base interactions energy: -665.433
where: short stacking energy: -271.367
Base-Backbone interact. energy: -0.298
local terms energy: -276.376680
where:
bonds (distance) C4'-P energy: -56.154
bonds (distance) P-C4' energy: -54.461
flat angles C4'-P-C4' energy: -63.852
flat angles P-C4'-P energy: -37.599
tors. eta vs tors. theta energy: -64.311
Dist. restrs. and SS energy: 7.496 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -896.170575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.170575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.364957 (E_RNA)
where:
Base-Base interactions energy: -636.172
where: short stacking energy: -264.480
Base-Backbone interact. energy: 4.151
local terms energy: -271.344316
where:
bonds (distance) C4'-P energy: -61.061
bonds (distance) P-C4' energy: -52.875
flat angles C4'-P-C4' energy: -60.140
flat angles P-C4'-P energy: -38.492
tors. eta vs tors. theta energy: -58.776
Dist. restrs. and SS energy: 7.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -879.473489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.473489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.519326 (E_RNA)
where:
Base-Base interactions energy: -629.820
where: short stacking energy: -245.029
Base-Backbone interact. energy: 6.537
local terms energy: -261.236019
where:
bonds (distance) C4'-P energy: -51.242
bonds (distance) P-C4' energy: -59.354
flat angles C4'-P-C4' energy: -55.111
flat angles P-C4'-P energy: -35.728
tors. eta vs tors. theta energy: -59.802
Dist. restrs. and SS energy: 5.046 (S_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: 120
Temperature: 1.350000
Total energy: -826.214668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.214668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.546913 (E_RNA)
where:
Base-Base interactions energy: -602.152
where: short stacking energy: -250.390
Base-Backbone interact. energy: 4.322
local terms energy: -239.716790
where:
bonds (distance) C4'-P energy: -55.939
bonds (distance) P-C4' energy: -32.063
flat angles C4'-P-C4' energy: -58.950
flat angles P-C4'-P energy: -38.996
tors. eta vs tors. theta energy: -53.769
Dist. restrs. and SS energy: 11.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -1199.555277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.555277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.348590 (E_RNA)
where:
Base-Base interactions energy: -854.086
where: short stacking energy: -339.440
Base-Backbone interact. energy: -2.011
local terms energy: -346.251804
where:
bonds (distance) C4'-P energy: -63.676
bonds (distance) P-C4' energy: -68.575
flat angles C4'-P-C4' energy: -75.625
flat angles P-C4'-P energy: -56.146
tors. eta vs tors. theta energy: -82.230
Dist. restrs. and SS energy: 2.793 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -1184.143655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.143655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.581815 (E_RNA)
where:
Base-Base interactions energy: -833.075
where: short stacking energy: -353.516
Base-Backbone interact. energy: -0.686
local terms energy: -353.820191
where:
bonds (distance) C4'-P energy: -62.192
bonds (distance) P-C4' energy: -62.433
flat angles C4'-P-C4' energy: -76.885
flat angles P-C4'-P energy: -50.253
tors. eta vs tors. theta energy: -102.058
Dist. restrs. and SS energy: 3.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -1149.109950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.109950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.371693 (E_RNA)
where:
Base-Base interactions energy: -804.292
where: short stacking energy: -322.765
Base-Backbone interact. energy: -2.394
local terms energy: -345.685901
where:
bonds (distance) C4'-P energy: -58.908
bonds (distance) P-C4' energy: -67.710
flat angles C4'-P-C4' energy: -73.766
flat angles P-C4'-P energy: -52.900
tors. eta vs tors. theta energy: -92.402
Dist. restrs. and SS energy: 3.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -1092.902531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.902531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.445686 (E_RNA)
where:
Base-Base interactions energy: -771.581
where: short stacking energy: -307.674
Base-Backbone interact. energy: -0.657
local terms energy: -324.207661
where:
bonds (distance) C4'-P energy: -61.707
bonds (distance) P-C4' energy: -63.268
flat angles C4'-P-C4' energy: -70.561
flat angles P-C4'-P energy: -45.101
tors. eta vs tors. theta energy: -83.570
Dist. restrs. and SS energy: 3.543 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -1021.000421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.000421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.934101 (E_RNA)
where:
Base-Base interactions energy: -713.612
where: short stacking energy: -283.629
Base-Backbone interact. energy: -2.314
local terms energy: -310.008222
where:
bonds (distance) C4'-P energy: -52.404
bonds (distance) P-C4' energy: -68.285
flat angles C4'-P-C4' energy: -70.075
flat angles P-C4'-P energy: -47.617
tors. eta vs tors. theta energy: -71.627
Dist. restrs. and SS energy: 4.934 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -986.735281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.735281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.055742 (E_RNA)
where:
Base-Base interactions energy: -694.024
where: short stacking energy: -266.471
Base-Backbone interact. energy: 0.619
local terms energy: -298.650705
where:
bonds (distance) C4'-P energy: -60.200
bonds (distance) P-C4' energy: -58.613
flat angles C4'-P-C4' energy: -64.985
flat angles P-C4'-P energy: -48.622
tors. eta vs tors. theta energy: -66.231
Dist. restrs. and SS energy: 5.320 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -939.867977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.867977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.900799 (E_RNA)
where:
Base-Base interactions energy: -669.054
where: short stacking energy: -273.345
Base-Backbone interact. energy: 1.673
local terms energy: -281.519444
where:
bonds (distance) C4'-P energy: -61.624
bonds (distance) P-C4' energy: -37.611
flat angles C4'-P-C4' energy: -76.233
flat angles P-C4'-P energy: -31.836
tors. eta vs tors. theta energy: -74.216
Dist. restrs. and SS energy: 9.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -908.748234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.748234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.292199 (E_RNA)
where:
Base-Base interactions energy: -626.533
where: short stacking energy: -252.849
Base-Backbone interact. energy: 3.125
local terms energy: -294.883769
where:
bonds (distance) C4'-P energy: -64.509
bonds (distance) P-C4' energy: -57.913
flat angles C4'-P-C4' energy: -75.169
flat angles P-C4'-P energy: -34.133
tors. eta vs tors. theta energy: -63.160
Dist. restrs. and SS energy: 9.544 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -852.302853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.302853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.384352 (E_RNA)
where:
Base-Base interactions energy: -609.152
where: short stacking energy: -229.150
Base-Backbone interact. energy: 0.574
local terms energy: -248.806434
where:
bonds (distance) C4'-P energy: -45.791
bonds (distance) P-C4' energy: -57.002
flat angles C4'-P-C4' energy: -60.989
flat angles P-C4'-P energy: -28.644
tors. eta vs tors. theta energy: -56.380
Dist. restrs. and SS energy: 5.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -831.666363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.666363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.546148 (E_RNA)
where:
Base-Base interactions energy: -574.306
where: short stacking energy: -219.813
Base-Backbone interact. energy: -1.541
local terms energy: -262.699188
where:
bonds (distance) C4'-P energy: -56.352
bonds (distance) P-C4' energy: -57.981
flat angles C4'-P-C4' energy: -64.597
flat angles P-C4'-P energy: -42.074
tors. eta vs tors. theta energy: -41.695
Dist. restrs. and SS energy: 6.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -1224.367467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.367467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.292135 (E_RNA)
where:
Base-Base interactions energy: -874.919
where: short stacking energy: -347.933
Base-Backbone interact. energy: -2.930
local terms energy: -349.443165
where:
bonds (distance) C4'-P energy: -66.662
bonds (distance) P-C4' energy: -71.776
flat angles C4'-P-C4' energy: -75.281
flat angles P-C4'-P energy: -46.312
tors. eta vs tors. theta energy: -89.411
Dist. restrs. and SS energy: 2.925 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -1193.341459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.341459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.929395 (E_RNA)
where:
Base-Base interactions energy: -831.409
where: short stacking energy: -346.781
Base-Backbone interact. energy: -0.807
local terms energy: -364.713486
where:
bonds (distance) C4'-P energy: -71.466
bonds (distance) P-C4' energy: -61.526
flat angles C4'-P-C4' energy: -79.940
flat angles P-C4'-P energy: -50.192
tors. eta vs tors. theta energy: -101.590
Dist. restrs. and SS energy: 3.588 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -1144.600212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.600212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.413893 (E_RNA)
where:
Base-Base interactions energy: -822.723
where: short stacking energy: -313.599
Base-Backbone interact. energy: -2.664
local terms energy: -322.026927
where:
bonds (distance) C4'-P energy: -61.547
bonds (distance) P-C4' energy: -62.514
flat angles C4'-P-C4' energy: -58.614
flat angles P-C4'-P energy: -53.620
tors. eta vs tors. theta energy: -85.731
Dist. restrs. and SS energy: 2.814 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -1084.885727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.885727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.088335 (E_RNA)
where:
Base-Base interactions energy: -774.076
where: short stacking energy: -315.641
Base-Backbone interact. energy: -3.055
local terms energy: -310.957735
where:
bonds (distance) C4'-P energy: -52.211
bonds (distance) P-C4' energy: -50.231
flat angles C4'-P-C4' energy: -72.601
flat angles P-C4'-P energy: -52.709
tors. eta vs tors. theta energy: -83.206
Dist. restrs. and SS energy: 3.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -1000.158381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.158381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.310854 (E_RNA)
where:
Base-Base interactions energy: -717.123
where: short stacking energy: -279.454
Base-Backbone interact. energy: -1.370
local terms energy: -284.818280
where:
bonds (distance) C4'-P energy: -68.605
bonds (distance) P-C4' energy: -50.094
flat angles C4'-P-C4' energy: -64.106
flat angles P-C4'-P energy: -38.342
tors. eta vs tors. theta energy: -63.672
Dist. restrs. and SS energy: 3.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -953.291815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.291815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.610807 (E_RNA)
where:
Base-Base interactions energy: -677.147
where: short stacking energy: -281.732
Base-Backbone interact. energy: 2.673
local terms energy: -282.137531
where:
bonds (distance) C4'-P energy: -37.444
bonds (distance) P-C4' energy: -48.871
flat angles C4'-P-C4' energy: -72.930
flat angles P-C4'-P energy: -49.779
tors. eta vs tors. theta energy: -73.114
Dist. restrs. and SS energy: 3.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -919.104663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.104663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.889026 (E_RNA)
where:
Base-Base interactions energy: -641.563
where: short stacking energy: -244.595
Base-Backbone interact. energy: -1.730
local terms energy: -280.596081
where:
bonds (distance) C4'-P energy: -50.474
bonds (distance) P-C4' energy: -61.993
flat angles C4'-P-C4' energy: -59.366
flat angles P-C4'-P energy: -39.662
tors. eta vs tors. theta energy: -69.102
Dist. restrs. and SS energy: 4.784 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -957.833470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.833470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.011828 (E_RNA)
where:
Base-Base interactions energy: -665.402
where: short stacking energy: -276.010
Base-Backbone interact. energy: -1.267
local terms energy: -300.342530
where:
bonds (distance) C4'-P energy: -60.369
bonds (distance) P-C4' energy: -56.673
flat angles C4'-P-C4' energy: -61.312
flat angles P-C4'-P energy: -40.940
tors. eta vs tors. theta energy: -81.050
Dist. restrs. and SS energy: 9.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -856.075842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.075842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.472032 (E_RNA)
where:
Base-Base interactions energy: -629.419
where: short stacking energy: -247.979
Base-Backbone interact. energy: -1.914
local terms energy: -232.139375
where:
bonds (distance) C4'-P energy: -50.629
bonds (distance) P-C4' energy: -49.699
flat angles C4'-P-C4' energy: -45.729
flat angles P-C4'-P energy: -36.939
tors. eta vs tors. theta energy: -49.144
Dist. restrs. and SS energy: 7.396 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -817.904436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.904436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.581362 (E_RNA)
where:
Base-Base interactions energy: -567.660
where: short stacking energy: -226.418
Base-Backbone interact. energy: -0.916
local terms energy: -256.005273
where:
bonds (distance) C4'-P energy: -61.475
bonds (distance) P-C4' energy: -60.373
flat angles C4'-P-C4' energy: -56.827
flat angles P-C4'-P energy: -31.195
tors. eta vs tors. theta energy: -46.136
Dist. restrs. and SS energy: 6.677 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -1216.400490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.400490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.156535 (E_RNA)
where:
Base-Base interactions energy: -859.798
where: short stacking energy: -328.264
Base-Backbone interact. energy: -1.380
local terms energy: -357.978933
where:
bonds (distance) C4'-P energy: -65.489
bonds (distance) P-C4' energy: -71.338
flat angles C4'-P-C4' energy: -81.856
flat angles P-C4'-P energy: -51.823
tors. eta vs tors. theta energy: -87.474
Dist. restrs. and SS energy: 2.756 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -1185.045854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.045854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.974112 (E_RNA)
where:
Base-Base interactions energy: -817.612
where: short stacking energy: -347.502
Base-Backbone interact. energy: -1.939
local terms energy: -368.423128
where:
bonds (distance) C4'-P energy: -68.935
bonds (distance) P-C4' energy: -64.915
flat angles C4'-P-C4' energy: -79.209
flat angles P-C4'-P energy: -54.361
tors. eta vs tors. theta energy: -101.003
Dist. restrs. and SS energy: 2.928 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -1152.932282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.932282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.386015 (E_RNA)
where:
Base-Base interactions energy: -825.551
where: short stacking energy: -329.285
Base-Backbone interact. energy: 0.491
local terms energy: -330.325824
where:
bonds (distance) C4'-P energy: -53.904
bonds (distance) P-C4' energy: -65.767
flat angles C4'-P-C4' energy: -72.391
flat angles P-C4'-P energy: -47.695
tors. eta vs tors. theta energy: -90.570
Dist. restrs. and SS energy: 2.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -1076.225343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.225343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.875976 (E_RNA)
where:
Base-Base interactions energy: -743.095
where: short stacking energy: -299.159
Base-Backbone interact. energy: -0.896
local terms energy: -335.885121
where:
bonds (distance) C4'-P energy: -61.982
bonds (distance) P-C4' energy: -65.844
flat angles C4'-P-C4' energy: -70.851
flat angles P-C4'-P energy: -47.058
tors. eta vs tors. theta energy: -90.151
Dist. restrs. and SS energy: 3.651 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -1026.889425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.889425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.625203 (E_RNA)
where:
Base-Base interactions energy: -710.166
where: short stacking energy: -288.812
Base-Backbone interact. energy: -2.247
local terms energy: -320.212660
where:
bonds (distance) C4'-P energy: -63.296
bonds (distance) P-C4' energy: -59.368
flat angles C4'-P-C4' energy: -78.377
flat angles P-C4'-P energy: -47.594
tors. eta vs tors. theta energy: -71.577
Dist. restrs. and SS energy: 5.736 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -963.535494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.535494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.602270 (E_RNA)
where:
Base-Base interactions energy: -658.156
where: short stacking energy: -279.422
Base-Backbone interact. energy: 1.699
local terms energy: -311.144632
where:
bonds (distance) C4'-P energy: -62.642
bonds (distance) P-C4' energy: -59.745
flat angles C4'-P-C4' energy: -63.857
flat angles P-C4'-P energy: -49.057
tors. eta vs tors. theta energy: -75.844
Dist. restrs. and SS energy: 4.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -930.027518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.027518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.266227 (E_RNA)
where:
Base-Base interactions energy: -661.333
where: short stacking energy: -266.667
Base-Backbone interact. energy: -0.715
local terms energy: -276.217721
where:
bonds (distance) C4'-P energy: -55.515
bonds (distance) P-C4' energy: -65.564
flat angles C4'-P-C4' energy: -52.510
flat angles P-C4'-P energy: -37.976
tors. eta vs tors. theta energy: -64.653
Dist. restrs. and SS energy: 8.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -913.237776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.237776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.781008 (E_RNA)
where:
Base-Base interactions energy: -646.401
where: short stacking energy: -258.254
Base-Backbone interact. energy: -1.950
local terms energy: -270.429192
where:
bonds (distance) C4'-P energy: -58.947
bonds (distance) P-C4' energy: -43.452
flat angles C4'-P-C4' energy: -69.483
flat angles P-C4'-P energy: -38.660
tors. eta vs tors. theta energy: -59.887
Dist. restrs. and SS energy: 5.543 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -839.134528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.134528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.323846 (E_RNA)
where:
Base-Base interactions energy: -590.767
where: short stacking energy: -234.442
Base-Backbone interact. energy: -0.095
local terms energy: -256.461928
where:
bonds (distance) C4'-P energy: -48.290
bonds (distance) P-C4' energy: -56.843
flat angles C4'-P-C4' energy: -65.067
flat angles P-C4'-P energy: -36.031
tors. eta vs tors. theta energy: -50.231
Dist. restrs. and SS energy: 8.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -816.299339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.299339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.659292 (E_RNA)
where:
Base-Base interactions energy: -588.283
where: short stacking energy: -227.197
Base-Backbone interact. energy: -0.318
local terms energy: -234.057939
where:
bonds (distance) C4'-P energy: -51.512
bonds (distance) P-C4' energy: -46.010
flat angles C4'-P-C4' energy: -55.188
flat angles P-C4'-P energy: -23.225
tors. eta vs tors. theta energy: -58.123
Dist. restrs. and SS energy: 6.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -1217.834298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.834298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.718122 (E_RNA)
where:
Base-Base interactions energy: -872.372
where: short stacking energy: -344.472
Base-Backbone interact. energy: 3.028
local terms energy: -351.373661
where:
bonds (distance) C4'-P energy: -63.277
bonds (distance) P-C4' energy: -71.520
flat angles C4'-P-C4' energy: -81.015
flat angles P-C4'-P energy: -46.223
tors. eta vs tors. theta energy: -89.339
Dist. restrs. and SS energy: 2.884 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -1176.588303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.588303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.127622 (E_RNA)
where:
Base-Base interactions energy: -833.552
where: short stacking energy: -333.120
Base-Backbone interact. energy: -0.086
local terms energy: -346.489519
where:
bonds (distance) C4'-P energy: -67.619
bonds (distance) P-C4' energy: -62.726
flat angles C4'-P-C4' energy: -73.041
flat angles P-C4'-P energy: -50.469
tors. eta vs tors. theta energy: -92.634
Dist. restrs. and SS energy: 3.539 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -1116.874269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.874269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.885502 (E_RNA)
where:
Base-Base interactions energy: -783.788
where: short stacking energy: -322.289
Base-Backbone interact. energy: -1.460
local terms energy: -334.638153
where:
bonds (distance) C4'-P energy: -68.441
bonds (distance) P-C4' energy: -64.935
flat angles C4'-P-C4' energy: -68.773
flat angles P-C4'-P energy: -43.412
tors. eta vs tors. theta energy: -89.076
Dist. restrs. and SS energy: 3.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -1103.576448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.576448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.740300 (E_RNA)
where:
Base-Base interactions energy: -762.238
where: short stacking energy: -325.994
Base-Backbone interact. energy: -2.251
local terms energy: -342.251823
where:
bonds (distance) C4'-P energy: -50.119
bonds (distance) P-C4' energy: -71.815
flat angles C4'-P-C4' energy: -76.077
flat angles P-C4'-P energy: -53.759
tors. eta vs tors. theta energy: -90.482
Dist. restrs. and SS energy: 3.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -1029.310479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.310479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.291943 (E_RNA)
where:
Base-Base interactions energy: -722.763
where: short stacking energy: -294.573
Base-Backbone interact. energy: 1.224
local terms energy: -311.753193
where:
bonds (distance) C4'-P energy: -47.902
bonds (distance) P-C4' energy: -64.500
flat angles C4'-P-C4' energy: -71.264
flat angles P-C4'-P energy: -53.812
tors. eta vs tors. theta energy: -74.275
Dist. restrs. and SS energy: 3.981 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -987.050378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.050378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.474659 (E_RNA)
where:
Base-Base interactions energy: -698.621
where: short stacking energy: -290.040
Base-Backbone interact. energy: 0.333
local terms energy: -295.187150
where:
bonds (distance) C4'-P energy: -47.537
bonds (distance) P-C4' energy: -59.020
flat angles C4'-P-C4' energy: -71.414
flat angles P-C4'-P energy: -48.950
tors. eta vs tors. theta energy: -68.266
Dist. restrs. and SS energy: 6.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -917.204333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.204333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.801590 (E_RNA)
where:
Base-Base interactions energy: -659.946
where: short stacking energy: -250.238
Base-Backbone interact. energy: -1.296
local terms energy: -262.559775
where:
bonds (distance) C4'-P energy: -52.359
bonds (distance) P-C4' energy: -51.825
flat angles C4'-P-C4' energy: -68.392
flat angles P-C4'-P energy: -25.975
tors. eta vs tors. theta energy: -64.009
Dist. restrs. and SS energy: 6.597 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -871.318987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.318987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.737476 (E_RNA)
where:
Base-Base interactions energy: -613.452
where: short stacking energy: -223.184
Base-Backbone interact. energy: 5.351
local terms energy: -267.636078
where:
bonds (distance) C4'-P energy: -54.442
bonds (distance) P-C4' energy: -64.117
flat angles C4'-P-C4' energy: -60.079
flat angles P-C4'-P energy: -36.829
tors. eta vs tors. theta energy: -52.169
Dist. restrs. and SS energy: 4.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -848.792542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.792542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.056469 (E_RNA)
where:
Base-Base interactions energy: -587.336
where: short stacking energy: -229.476
Base-Backbone interact. energy: -1.066
local terms energy: -265.654696
where:
bonds (distance) C4'-P energy: -60.612
bonds (distance) P-C4' energy: -53.446
flat angles C4'-P-C4' energy: -57.793
flat angles P-C4'-P energy: -38.239
tors. eta vs tors. theta energy: -55.564
Dist. restrs. and SS energy: 5.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -840.084044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.084044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.129928 (E_RNA)
where:
Base-Base interactions energy: -611.116
where: short stacking energy: -230.172
Base-Backbone interact. energy: -2.959
local terms energy: -231.055402
where:
bonds (distance) C4'-P energy: -56.389
bonds (distance) P-C4' energy: -52.406
flat angles C4'-P-C4' energy: -40.100
flat angles P-C4'-P energy: -37.006
tors. eta vs tors. theta energy: -45.155
Dist. restrs. and SS energy: 5.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -1215.036869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.036869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.892921 (E_RNA)
where:
Base-Base interactions energy: -859.081
where: short stacking energy: -331.384
Base-Backbone interact. energy: -2.740
local terms energy: -356.071773
where:
bonds (distance) C4'-P energy: -65.204
bonds (distance) P-C4' energy: -70.849
flat angles C4'-P-C4' energy: -76.175
flat angles P-C4'-P energy: -57.410
tors. eta vs tors. theta energy: -86.434
Dist. restrs. and SS energy: 2.856 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -1175.627543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.627543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.538039 (E_RNA)
where:
Base-Base interactions energy: -830.399
where: short stacking energy: -337.579
Base-Backbone interact. energy: -2.176
local terms energy: -345.962300
where:
bonds (distance) C4'-P energy: -55.545
bonds (distance) P-C4' energy: -67.873
flat angles C4'-P-C4' energy: -72.545
flat angles P-C4'-P energy: -50.377
tors. eta vs tors. theta energy: -99.622
Dist. restrs. and SS energy: 2.910 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -1100.837857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.837857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.215011 (E_RNA)
where:
Base-Base interactions energy: -754.065
where: short stacking energy: -309.196
Base-Backbone interact. energy: -2.613
local terms energy: -347.537520
where:
bonds (distance) C4'-P energy: -60.585
bonds (distance) P-C4' energy: -57.489
flat angles C4'-P-C4' energy: -85.556
flat angles P-C4'-P energy: -60.662
tors. eta vs tors. theta energy: -83.245
Dist. restrs. and SS energy: 3.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -1100.283678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.283678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.066371 (E_RNA)
where:
Base-Base interactions energy: -766.912
where: short stacking energy: -313.901
Base-Backbone interact. energy: -2.044
local terms energy: -335.110623
where:
bonds (distance) C4'-P energy: -55.718
bonds (distance) P-C4' energy: -73.368
flat angles C4'-P-C4' energy: -65.735
flat angles P-C4'-P energy: -57.653
tors. eta vs tors. theta energy: -82.637
Dist. restrs. and SS energy: 3.783 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -995.287578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.287578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.306925 (E_RNA)
where:
Base-Base interactions energy: -678.553
where: short stacking energy: -277.352
Base-Backbone interact. energy: -1.761
local terms energy: -319.992201
where:
bonds (distance) C4'-P energy: -60.981
bonds (distance) P-C4' energy: -70.387
flat angles C4'-P-C4' energy: -73.969
flat angles P-C4'-P energy: -44.050
tors. eta vs tors. theta energy: -70.606
Dist. restrs. and SS energy: 5.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -1014.681197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.681197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.878231 (E_RNA)
where:
Base-Base interactions energy: -704.030
where: short stacking energy: -281.024
Base-Backbone interact. energy: -2.195
local terms energy: -311.653857
where:
bonds (distance) C4'-P energy: -67.403
bonds (distance) P-C4' energy: -60.763
flat angles C4'-P-C4' energy: -70.308
flat angles P-C4'-P energy: -41.625
tors. eta vs tors. theta energy: -71.555
Dist. restrs. and SS energy: 3.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -949.406937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.406937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.370971 (E_RNA)
where:
Base-Base interactions energy: -666.530
where: short stacking energy: -262.491
Base-Backbone interact. energy: -0.317
local terms energy: -287.523975
where:
bonds (distance) C4'-P energy: -48.952
bonds (distance) P-C4' energy: -60.996
flat angles C4'-P-C4' energy: -65.881
flat angles P-C4'-P energy: -36.725
tors. eta vs tors. theta energy: -74.971
Dist. restrs. and SS energy: 4.964 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -866.373160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.373160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.020614 (E_RNA)
where:
Base-Base interactions energy: -604.187
where: short stacking energy: -234.717
Base-Backbone interact. energy: -1.919
local terms energy: -264.914627
where:
bonds (distance) C4'-P energy: -50.008
bonds (distance) P-C4' energy: -67.011
flat angles C4'-P-C4' energy: -55.649
flat angles P-C4'-P energy: -45.027
tors. eta vs tors. theta energy: -47.220
Dist. restrs. and SS energy: 4.647 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -851.328228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.328228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.043663 (E_RNA)
where:
Base-Base interactions energy: -589.599
where: short stacking energy: -228.058
Base-Backbone interact. energy: 1.166
local terms energy: -268.609993
where:
bonds (distance) C4'-P energy: -53.423
bonds (distance) P-C4' energy: -66.858
flat angles C4'-P-C4' energy: -68.020
flat angles P-C4'-P energy: -32.960
tors. eta vs tors. theta energy: -47.349
Dist. restrs. and SS energy: 5.715 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -828.220050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.220050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.034101 (E_RNA)
where:
Base-Base interactions energy: -602.552
where: short stacking energy: -223.540
Base-Backbone interact. energy: -2.921
local terms energy: -227.561406
where:
bonds (distance) C4'-P energy: -55.253
bonds (distance) P-C4' energy: -49.566
flat angles C4'-P-C4' energy: -40.254
flat angles P-C4'-P energy: -36.787
tors. eta vs tors. theta energy: -45.700
Dist. restrs. and SS energy: 4.814 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -1215.950693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.950693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.893214 (E_RNA)
where:
Base-Base interactions energy: -863.701
where: short stacking energy: -335.995
Base-Backbone interact. energy: -1.370
local terms energy: -353.822132
where:
bonds (distance) C4'-P energy: -65.451
bonds (distance) P-C4' energy: -66.525
flat angles C4'-P-C4' energy: -71.171
flat angles P-C4'-P energy: -56.166
tors. eta vs tors. theta energy: -94.508
Dist. restrs. and SS energy: 2.943 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -1150.183594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.183594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.047099 (E_RNA)
where:
Base-Base interactions energy: -806.452
where: short stacking energy: -319.862
Base-Backbone interact. energy: -1.601
local terms energy: -346.994239
where:
bonds (distance) C4'-P energy: -60.435
bonds (distance) P-C4' energy: -58.404
flat angles C4'-P-C4' energy: -82.754
flat angles P-C4'-P energy: -58.712
tors. eta vs tors. theta energy: -86.689
Dist. restrs. and SS energy: 4.864 (S_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: 126
Temperature: 1.000000
Total energy: -1179.952028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.952028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.033256 (E_RNA)
where:
Base-Base interactions energy: -834.750
where: short stacking energy: -344.133
Base-Backbone interact. energy: -0.428
local terms energy: -347.855090
where:
bonds (distance) C4'-P energy: -68.251
bonds (distance) P-C4' energy: -57.621
flat angles C4'-P-C4' energy: -62.703
flat angles P-C4'-P energy: -55.306
tors. eta vs tors. theta energy: -103.975
Dist. restrs. and SS energy: 3.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -1078.850857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.850857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.683197 (E_RNA)
where:
Base-Base interactions energy: -765.949
where: short stacking energy: -302.511
Base-Backbone interact. energy: -0.054
local terms energy: -315.679776
where:
bonds (distance) C4'-P energy: -67.084
bonds (distance) P-C4' energy: -67.792
flat angles C4'-P-C4' energy: -60.819
flat angles P-C4'-P energy: -42.190
tors. eta vs tors. theta energy: -77.795
Dist. restrs. and SS energy: 2.832 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -1021.863629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.863629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.201496 (E_RNA)
where:
Base-Base interactions energy: -699.526
where: short stacking energy: -284.266
Base-Backbone interact. energy: 0.134
local terms energy: -327.809733
where:
bonds (distance) C4'-P energy: -52.898
bonds (distance) P-C4' energy: -69.970
flat angles C4'-P-C4' energy: -79.018
flat angles P-C4'-P energy: -51.942
tors. eta vs tors. theta energy: -73.982
Dist. restrs. and SS energy: 5.338 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -1015.745111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.745111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.804902 (E_RNA)
where:
Base-Base interactions energy: -716.064
where: short stacking energy: -283.866
Base-Backbone interact. energy: 0.457
local terms energy: -304.197206
where:
bonds (distance) C4'-P energy: -55.629
bonds (distance) P-C4' energy: -57.689
flat angles C4'-P-C4' energy: -65.097
flat angles P-C4'-P energy: -45.012
tors. eta vs tors. theta energy: -80.771
Dist. restrs. and SS energy: 4.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -941.613529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.613529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.760930 (E_RNA)
where:
Base-Base interactions energy: -663.663
where: short stacking energy: -273.354
Base-Backbone interact. energy: -1.214
local terms energy: -282.884047
where:
bonds (distance) C4'-P energy: -56.364
bonds (distance) P-C4' energy: -68.917
flat angles C4'-P-C4' energy: -59.254
flat angles P-C4'-P energy: -26.132
tors. eta vs tors. theta energy: -72.217
Dist. restrs. and SS energy: 6.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -884.941702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.941702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.102045 (E_RNA)
where:
Base-Base interactions energy: -620.441
where: short stacking energy: -260.654
Base-Backbone interact. energy: -1.476
local terms energy: -272.185682
where:
bonds (distance) C4'-P energy: -52.846
bonds (distance) P-C4' energy: -59.143
flat angles C4'-P-C4' energy: -56.408
flat angles P-C4'-P energy: -40.503
tors. eta vs tors. theta energy: -63.286
Dist. restrs. and SS energy: 9.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -877.855326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.855326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.032535 (E_RNA)
where:
Base-Base interactions energy: -596.318
where: short stacking energy: -223.062
Base-Backbone interact. energy: -0.168
local terms energy: -288.545834
where:
bonds (distance) C4'-P energy: -51.700
bonds (distance) P-C4' energy: -70.128
flat angles C4'-P-C4' energy: -69.591
flat angles P-C4'-P energy: -40.637
tors. eta vs tors. theta energy: -56.490
Dist. restrs. and SS energy: 7.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -772.375058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.375058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.253034 (E_RNA)
where:
Base-Base interactions energy: -570.243
where: short stacking energy: -219.604
Base-Backbone interact. energy: 0.297
local terms energy: -209.307067
where:
bonds (distance) C4'-P energy: -44.718
bonds (distance) P-C4' energy: -50.477
flat angles C4'-P-C4' energy: -53.967
flat angles P-C4'-P energy: -27.281
tors. eta vs tors. theta energy: -32.864
Dist. restrs. and SS energy: 6.878 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -1219.147572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.147572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.622504 (E_RNA)
where:
Base-Base interactions energy: -859.432
where: short stacking energy: -332.113
Base-Backbone interact. energy: -1.430
local terms energy: -361.760151
where:
bonds (distance) C4'-P energy: -67.811
bonds (distance) P-C4' energy: -67.070
flat angles C4'-P-C4' energy: -78.082
flat angles P-C4'-P energy: -59.116
tors. eta vs tors. theta energy: -89.680
Dist. restrs. and SS energy: 3.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -1188.859241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.859241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.351659 (E_RNA)
where:
Base-Base interactions energy: -826.409
where: short stacking energy: -337.849
Base-Backbone interact. energy: -1.273
local terms energy: -364.669196
where:
bonds (distance) C4'-P energy: -61.738
bonds (distance) P-C4' energy: -70.051
flat angles C4'-P-C4' energy: -82.565
flat angles P-C4'-P energy: -51.769
tors. eta vs tors. theta energy: -98.546
Dist. restrs. and SS energy: 3.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -1174.257176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.257176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.287632 (E_RNA)
where:
Base-Base interactions energy: -840.545
where: short stacking energy: -334.497
Base-Backbone interact. energy: 4.128
local terms energy: -340.870621
where:
bonds (distance) C4'-P energy: -57.053
bonds (distance) P-C4' energy: -68.678
flat angles C4'-P-C4' energy: -75.685
flat angles P-C4'-P energy: -46.323
tors. eta vs tors. theta energy: -93.132
Dist. restrs. and SS energy: 3.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -1036.996394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.996394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.994492 (E_RNA)
where:
Base-Base interactions energy: -701.083
where: short stacking energy: -283.165
Base-Backbone interact. energy: -2.008
local terms energy: -336.903733
where:
bonds (distance) C4'-P energy: -70.581
bonds (distance) P-C4' energy: -67.500
flat angles C4'-P-C4' energy: -72.400
flat angles P-C4'-P energy: -50.945
tors. eta vs tors. theta energy: -75.478
Dist. restrs. and SS energy: 2.998 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -1053.528283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.528283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.373450 (E_RNA)
where:
Base-Base interactions energy: -758.501
where: short stacking energy: -290.454
Base-Backbone interact. energy: 0.497
local terms energy: -298.369238
where:
bonds (distance) C4'-P energy: -49.734
bonds (distance) P-C4' energy: -59.318
flat angles C4'-P-C4' energy: -70.629
flat angles P-C4'-P energy: -43.994
tors. eta vs tors. theta energy: -74.694
Dist. restrs. and SS energy: 2.845 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -1002.625915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.625915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.972666 (E_RNA)
where:
Base-Base interactions energy: -703.738
where: short stacking energy: -271.869
Base-Backbone interact. energy: 0.709
local terms energy: -302.943499
where:
bonds (distance) C4'-P energy: -60.122
bonds (distance) P-C4' energy: -52.793
flat angles C4'-P-C4' energy: -65.396
flat angles P-C4'-P energy: -48.336
tors. eta vs tors. theta energy: -76.296
Dist. restrs. and SS energy: 3.347 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -921.435505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.435505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.573790 (E_RNA)
where:
Base-Base interactions energy: -628.082
where: short stacking energy: -248.432
Base-Backbone interact. energy: -3.325
local terms energy: -296.167442
where:
bonds (distance) C4'-P energy: -57.049
bonds (distance) P-C4' energy: -66.345
flat angles C4'-P-C4' energy: -69.845
flat angles P-C4'-P energy: -35.418
tors. eta vs tors. theta energy: -67.511
Dist. restrs. and SS energy: 6.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -883.370608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.370608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.294856 (E_RNA)
where:
Base-Base interactions energy: -620.144
where: short stacking energy: -238.036
Base-Backbone interact. energy: 1.626
local terms energy: -268.776641
where:
bonds (distance) C4'-P energy: -54.156
bonds (distance) P-C4' energy: -54.794
flat angles C4'-P-C4' energy: -74.666
flat angles P-C4'-P energy: -29.065
tors. eta vs tors. theta energy: -56.096
Dist. restrs. and SS energy: 3.924 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -853.778071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.778071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.522702 (E_RNA)
where:
Base-Base interactions energy: -578.954
where: short stacking energy: -222.222
Base-Backbone interact. energy: 0.130
local terms energy: -293.698295
where:
bonds (distance) C4'-P energy: -61.242
bonds (distance) P-C4' energy: -66.512
flat angles C4'-P-C4' energy: -72.190
flat angles P-C4'-P energy: -38.490
tors. eta vs tors. theta energy: -55.265
Dist. restrs. and SS energy: 18.745 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -830.149781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.149781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.850140 (E_RNA)
where:
Base-Base interactions energy: -576.855
where: short stacking energy: -206.492
Base-Backbone interact. energy: -1.972
local terms energy: -257.022959
where:
bonds (distance) C4'-P energy: -62.258
bonds (distance) P-C4' energy: -57.602
flat angles C4'-P-C4' energy: -54.435
flat angles P-C4'-P energy: -37.583
tors. eta vs tors. theta energy: -45.145
Dist. restrs. and SS energy: 5.700 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -1223.632798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.632798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.510304 (E_RNA)
where:
Base-Base interactions energy: -868.256
where: short stacking energy: -332.685
Base-Backbone interact. energy: -1.494
local terms energy: -356.759444
where:
bonds (distance) C4'-P energy: -64.712
bonds (distance) P-C4' energy: -70.534
flat angles C4'-P-C4' energy: -73.949
flat angles P-C4'-P energy: -56.009
tors. eta vs tors. theta energy: -91.556
Dist. restrs. and SS energy: 2.878 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -1219.849063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.849063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.432894 (E_RNA)
where:
Base-Base interactions energy: -847.823
where: short stacking energy: -348.271
Base-Backbone interact. energy: 2.215
local terms energy: -377.825102
where:
bonds (distance) C4'-P energy: -60.414
bonds (distance) P-C4' energy: -76.340
flat angles C4'-P-C4' energy: -83.020
flat angles P-C4'-P energy: -51.654
tors. eta vs tors. theta energy: -106.398
Dist. restrs. and SS energy: 3.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -1150.835234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.835234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.711012 (E_RNA)
where:
Base-Base interactions energy: -806.686
where: short stacking energy: -340.010
Base-Backbone interact. energy: -1.485
local terms energy: -346.540870
where:
bonds (distance) C4'-P energy: -63.844
bonds (distance) P-C4' energy: -68.381
flat angles C4'-P-C4' energy: -72.716
flat angles P-C4'-P energy: -49.218
tors. eta vs tors. theta energy: -92.382
Dist. restrs. and SS energy: 3.876 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -1062.708685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.708685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.770157 (E_RNA)
where:
Base-Base interactions energy: -738.840
where: short stacking energy: -298.709
Base-Backbone interact. energy: 1.714
local terms energy: -328.643735
where:
bonds (distance) C4'-P energy: -62.806
bonds (distance) P-C4' energy: -58.555
flat angles C4'-P-C4' energy: -77.060
flat angles P-C4'-P energy: -49.227
tors. eta vs tors. theta energy: -80.996
Dist. restrs. and SS energy: 3.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -1057.561229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.561229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.738300 (E_RNA)
where:
Base-Base interactions energy: -738.077
where: short stacking energy: -287.820
Base-Backbone interact. energy: 0.318
local terms energy: -323.979014
where:
bonds (distance) C4'-P energy: -58.932
bonds (distance) P-C4' energy: -61.771
flat angles C4'-P-C4' energy: -69.864
flat angles P-C4'-P energy: -50.538
tors. eta vs tors. theta energy: -82.875
Dist. restrs. and SS energy: 4.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -1016.270083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.270083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.487449 (E_RNA)
where:
Base-Base interactions energy: -676.991
where: short stacking energy: -278.608
Base-Backbone interact. energy: -1.315
local terms energy: -341.181759
where:
bonds (distance) C4'-P energy: -62.210
bonds (distance) P-C4' energy: -75.582
flat angles C4'-P-C4' energy: -73.791
flat angles P-C4'-P energy: -49.041
tors. eta vs tors. theta energy: -80.559
Dist. restrs. and SS energy: 3.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -967.478022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.478022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.665411 (E_RNA)
where:
Base-Base interactions energy: -665.676
where: short stacking energy: -260.828
Base-Backbone interact. energy: -3.219
local terms energy: -301.770154
where:
bonds (distance) C4'-P energy: -63.190
bonds (distance) P-C4' energy: -55.496
flat angles C4'-P-C4' energy: -64.439
flat angles P-C4'-P energy: -45.392
tors. eta vs tors. theta energy: -73.253
Dist. restrs. and SS energy: 3.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -913.532958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.532958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.040751 (E_RNA)
where:
Base-Base interactions energy: -641.085
where: short stacking energy: -258.882
Base-Backbone interact. energy: -2.106
local terms energy: -274.849427
where:
bonds (distance) C4'-P energy: -46.109
bonds (distance) P-C4' energy: -47.807
flat angles C4'-P-C4' energy: -67.584
flat angles P-C4'-P energy: -42.469
tors. eta vs tors. theta energy: -70.880
Dist. restrs. and SS energy: 4.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -877.379323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.379323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.793955 (E_RNA)
where:
Base-Base interactions energy: -607.414
where: short stacking energy: -248.817
Base-Backbone interact. energy: 1.171
local terms energy: -280.550553
where:
bonds (distance) C4'-P energy: -55.455
bonds (distance) P-C4' energy: -67.610
flat angles C4'-P-C4' energy: -59.377
flat angles P-C4'-P energy: -29.729
tors. eta vs tors. theta energy: -68.379
Dist. restrs. and SS energy: 9.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -803.604434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.604434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.029399 (E_RNA)
where:
Base-Base interactions energy: -570.030
where: short stacking energy: -225.006
Base-Backbone interact. energy: -1.758
local terms energy: -243.241264
where:
bonds (distance) C4'-P energy: -51.383
bonds (distance) P-C4' energy: -64.740
flat angles C4'-P-C4' energy: -55.038
flat angles P-C4'-P energy: -26.316
tors. eta vs tors. theta energy: -45.765
Dist. restrs. and SS energy: 11.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -1240.869576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.869576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.142073 (E_RNA)
where:
Base-Base interactions energy: -886.828
where: short stacking energy: -345.757
Base-Backbone interact. energy: -2.049
local terms energy: -355.265510
where:
bonds (distance) C4'-P energy: -64.717
bonds (distance) P-C4' energy: -70.320
flat angles C4'-P-C4' energy: -75.454
flat angles P-C4'-P energy: -56.218
tors. eta vs tors. theta energy: -88.556
Dist. restrs. and SS energy: 3.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -1185.454688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.454688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.617702 (E_RNA)
where:
Base-Base interactions energy: -836.285
where: short stacking energy: -333.948
Base-Backbone interact. energy: -1.366
local terms energy: -350.967310
where:
bonds (distance) C4'-P energy: -64.999
bonds (distance) P-C4' energy: -67.422
flat angles C4'-P-C4' energy: -74.357
flat angles P-C4'-P energy: -46.071
tors. eta vs tors. theta energy: -98.118
Dist. restrs. and SS energy: 3.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -1191.834916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.834916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.226176 (E_RNA)
where:
Base-Base interactions energy: -844.019
where: short stacking energy: -353.076
Base-Backbone interact. energy: -2.278
local terms energy: -348.928906
where:
bonds (distance) C4'-P energy: -60.676
bonds (distance) P-C4' energy: -61.676
flat angles C4'-P-C4' energy: -68.022
flat angles P-C4'-P energy: -55.171
tors. eta vs tors. theta energy: -103.384
Dist. restrs. and SS energy: 3.391 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -1070.570692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.570692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.592273 (E_RNA)
where:
Base-Base interactions energy: -753.411
where: short stacking energy: -309.081
Base-Backbone interact. energy: -1.105
local terms energy: -320.076559
where:
bonds (distance) C4'-P energy: -57.168
bonds (distance) P-C4' energy: -60.289
flat angles C4'-P-C4' energy: -69.032
flat angles P-C4'-P energy: -51.641
tors. eta vs tors. theta energy: -81.948
Dist. restrs. and SS energy: 4.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -1041.656244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.656244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.189474 (E_RNA)
where:
Base-Base interactions energy: -702.453
where: short stacking energy: -302.462
Base-Backbone interact. energy: -0.583
local terms energy: -341.153766
where:
bonds (distance) C4'-P energy: -69.255
bonds (distance) P-C4' energy: -67.462
flat angles C4'-P-C4' energy: -63.656
flat angles P-C4'-P energy: -50.109
tors. eta vs tors. theta energy: -90.673
Dist. restrs. and SS energy: 2.533 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -1002.967568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.967568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.323120 (E_RNA)
where:
Base-Base interactions energy: -697.560
where: short stacking energy: -272.897
Base-Backbone interact. energy: 0.330
local terms energy: -309.092932
where:
bonds (distance) C4'-P energy: -71.510
bonds (distance) P-C4' energy: -60.560
flat angles C4'-P-C4' energy: -65.960
flat angles P-C4'-P energy: -39.044
tors. eta vs tors. theta energy: -72.019
Dist. restrs. and SS energy: 3.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -920.332244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.332244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.022612 (E_RNA)
where:
Base-Base interactions energy: -644.435
where: short stacking energy: -253.327
Base-Backbone interact. energy: -2.651
local terms energy: -276.936804
where:
bonds (distance) C4'-P energy: -61.626
bonds (distance) P-C4' energy: -64.610
flat angles C4'-P-C4' energy: -46.540
flat angles P-C4'-P energy: -39.015
tors. eta vs tors. theta energy: -65.145
Dist. restrs. and SS energy: 3.690 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -905.378682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.378682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.164630 (E_RNA)
where:
Base-Base interactions energy: -631.236
where: short stacking energy: -264.696
Base-Backbone interact. energy: -0.279
local terms energy: -277.649739
where:
bonds (distance) C4'-P energy: -44.292
bonds (distance) P-C4' energy: -65.750
flat angles C4'-P-C4' energy: -54.936
flat angles P-C4'-P energy: -38.762
tors. eta vs tors. theta energy: -73.910
Dist. restrs. and SS energy: 3.786 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -879.867855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.867855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.097297 (E_RNA)
where:
Base-Base interactions energy: -629.685
where: short stacking energy: -232.185
Base-Backbone interact. energy: -2.201
local terms energy: -254.210879
where:
bonds (distance) C4'-P energy: -43.687
bonds (distance) P-C4' energy: -64.772
flat angles C4'-P-C4' energy: -56.763
flat angles P-C4'-P energy: -40.414
tors. eta vs tors. theta energy: -48.575
Dist. restrs. and SS energy: 6.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -792.955132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.955132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.675382 (E_RNA)
where:
Base-Base interactions energy: -569.795
where: short stacking energy: -219.490
Base-Backbone interact. energy: -0.414
local terms energy: -236.466713
where:
bonds (distance) C4'-P energy: -53.039
bonds (distance) P-C4' energy: -51.749
flat angles C4'-P-C4' energy: -59.745
flat angles P-C4'-P energy: -35.740
tors. eta vs tors. theta energy: -36.194
Dist. restrs. and SS energy: 13.720 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -1228.597170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.597170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.004368 (E_RNA)
where:
Base-Base interactions energy: -860.644
where: short stacking energy: -334.568
Base-Backbone interact. energy: 4.641
local terms energy: -376.000906
where:
bonds (distance) C4'-P energy: -71.408
bonds (distance) P-C4' energy: -82.271
flat angles C4'-P-C4' energy: -78.622
flat angles P-C4'-P energy: -52.695
tors. eta vs tors. theta energy: -91.004
Dist. restrs. and SS energy: 3.407 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -1171.590019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.590019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.685094 (E_RNA)
where:
Base-Base interactions energy: -813.732
where: short stacking energy: -328.177
Base-Backbone interact. energy: -2.116
local terms energy: -358.836764
where:
bonds (distance) C4'-P energy: -68.814
bonds (distance) P-C4' energy: -64.981
flat angles C4'-P-C4' energy: -75.947
flat angles P-C4'-P energy: -49.000
tors. eta vs tors. theta energy: -100.095
Dist. restrs. and SS energy: 3.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -1156.325430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.325430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.775588 (E_RNA)
where:
Base-Base interactions energy: -816.227
where: short stacking energy: -334.718
Base-Backbone interact. energy: -2.849
local terms energy: -341.699905
where:
bonds (distance) C4'-P energy: -67.779
bonds (distance) P-C4' energy: -64.101
flat angles C4'-P-C4' energy: -63.729
flat angles P-C4'-P energy: -56.784
tors. eta vs tors. theta energy: -89.307
Dist. restrs. and SS energy: 4.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -1061.978324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.978324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.472709 (E_RNA)
where:
Base-Base interactions energy: -732.491
where: short stacking energy: -290.395
Base-Backbone interact. energy: -1.957
local terms energy: -331.025176
where:
bonds (distance) C4'-P energy: -69.347
bonds (distance) P-C4' energy: -61.551
flat angles C4'-P-C4' energy: -69.543
flat angles P-C4'-P energy: -54.748
tors. eta vs tors. theta energy: -75.836
Dist. restrs. and SS energy: 3.494 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -1035.770042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.770042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.406586 (E_RNA)
where:
Base-Base interactions energy: -724.372
where: short stacking energy: -285.067
Base-Backbone interact. energy: -2.440
local terms energy: -311.594789
where:
bonds (distance) C4'-P energy: -52.968
bonds (distance) P-C4' energy: -75.747
flat angles C4'-P-C4' energy: -61.049
flat angles P-C4'-P energy: -53.003
tors. eta vs tors. theta energy: -68.828
Dist. restrs. and SS energy: 2.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -969.793992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.793992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.614055 (E_RNA)
where:
Base-Base interactions energy: -687.717
where: short stacking energy: -271.428
Base-Backbone interact. energy: -1.724
local terms energy: -286.173352
where:
bonds (distance) C4'-P energy: -57.815
bonds (distance) P-C4' energy: -54.855
flat angles C4'-P-C4' energy: -62.733
flat angles P-C4'-P energy: -46.869
tors. eta vs tors. theta energy: -63.901
Dist. restrs. and SS energy: 5.820 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -914.168567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.168567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.043158 (E_RNA)
where:
Base-Base interactions energy: -643.696
where: short stacking energy: -264.065
Base-Backbone interact. energy: -1.984
local terms energy: -272.362820
where:
bonds (distance) C4'-P energy: -52.904
bonds (distance) P-C4' energy: -62.048
flat angles C4'-P-C4' energy: -61.589
flat angles P-C4'-P energy: -39.149
tors. eta vs tors. theta energy: -56.672
Dist. restrs. and SS energy: 3.875 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -905.948756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.948756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.401484 (E_RNA)
where:
Base-Base interactions energy: -637.586
where: short stacking energy: -249.761
Base-Backbone interact. energy: 1.832
local terms energy: -274.646824
where:
bonds (distance) C4'-P energy: -65.670
bonds (distance) P-C4' energy: -53.522
flat angles C4'-P-C4' energy: -58.259
flat angles P-C4'-P energy: -41.916
tors. eta vs tors. theta energy: -55.279
Dist. restrs. and SS energy: 4.453 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -834.194294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.194294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.249710 (E_RNA)
where:
Base-Base interactions energy: -594.344
where: short stacking energy: -225.295
Base-Backbone interact. energy: -0.722
local terms energy: -248.183097
where:
bonds (distance) C4'-P energy: -59.513
bonds (distance) P-C4' energy: -49.313
flat angles C4'-P-C4' energy: -59.122
flat angles P-C4'-P energy: -30.679
tors. eta vs tors. theta energy: -49.556
Dist. restrs. and SS energy: 9.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -846.413380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.413380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.080881 (E_RNA)
where:
Base-Base interactions energy: -589.829
where: short stacking energy: -233.802
Base-Backbone interact. energy: -1.390
local terms energy: -263.862607
where:
bonds (distance) C4'-P energy: -54.646
bonds (distance) P-C4' energy: -49.066
flat angles C4'-P-C4' energy: -58.039
flat angles P-C4'-P energy: -34.478
tors. eta vs tors. theta energy: -67.633
Dist. restrs. and SS energy: 8.668 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -1225.989656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.989656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.002648 (E_RNA)
where:
Base-Base interactions energy: -874.733
where: short stacking energy: -345.078
Base-Backbone interact. energy: -2.853
local terms energy: -351.416835
where:
bonds (distance) C4'-P energy: -64.993
bonds (distance) P-C4' energy: -68.272
flat angles C4'-P-C4' energy: -72.879
flat angles P-C4'-P energy: -54.946
tors. eta vs tors. theta energy: -90.326
Dist. restrs. and SS energy: 3.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -1178.447426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.447426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.984956 (E_RNA)
where:
Base-Base interactions energy: -827.863
where: short stacking energy: -349.383
Base-Backbone interact. energy: -3.075
local terms energy: -351.047159
where:
bonds (distance) C4'-P energy: -70.714
bonds (distance) P-C4' energy: -60.520
flat angles C4'-P-C4' energy: -80.158
flat angles P-C4'-P energy: -38.817
tors. eta vs tors. theta energy: -100.837
Dist. restrs. and SS energy: 3.538 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -1153.667014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.667014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.855458 (E_RNA)
where:
Base-Base interactions energy: -783.074
where: short stacking energy: -336.095
Base-Backbone interact. energy: -3.178
local terms energy: -370.603659
where:
bonds (distance) C4'-P energy: -67.056
bonds (distance) P-C4' energy: -68.917
flat angles C4'-P-C4' energy: -76.507
flat angles P-C4'-P energy: -56.193
tors. eta vs tors. theta energy: -101.931
Dist. restrs. and SS energy: 3.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -1078.503365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.503365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.299707 (E_RNA)
where:
Base-Base interactions energy: -739.171
where: short stacking energy: -286.692
Base-Backbone interact. energy: -2.777
local terms energy: -340.351861
where:
bonds (distance) C4'-P energy: -64.365
bonds (distance) P-C4' energy: -69.750
flat angles C4'-P-C4' energy: -64.202
flat angles P-C4'-P energy: -58.612
tors. eta vs tors. theta energy: -83.424
Dist. restrs. and SS energy: 3.796 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -1061.700733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.700733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.554353 (E_RNA)
where:
Base-Base interactions energy: -747.580
where: short stacking energy: -313.453
Base-Backbone interact. energy: -0.871
local terms energy: -316.102884
where:
bonds (distance) C4'-P energy: -63.369
bonds (distance) P-C4' energy: -54.505
flat angles C4'-P-C4' energy: -67.496
flat angles P-C4'-P energy: -45.988
tors. eta vs tors. theta energy: -84.745
Dist. restrs. and SS energy: 2.854 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -966.524924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.524924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.624091 (E_RNA)
where:
Base-Base interactions energy: -655.361
where: short stacking energy: -254.015
Base-Backbone interact. energy: -0.842
local terms energy: -314.421637
where:
bonds (distance) C4'-P energy: -70.824
bonds (distance) P-C4' energy: -64.425
flat angles C4'-P-C4' energy: -65.602
flat angles P-C4'-P energy: -48.829
tors. eta vs tors. theta energy: -64.741
Dist. restrs. and SS energy: 4.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -929.616680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.616680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.333212 (E_RNA)
where:
Base-Base interactions energy: -669.413
where: short stacking energy: -248.636
Base-Backbone interact. energy: -0.314
local terms energy: -264.606769
where:
bonds (distance) C4'-P energy: -52.539
bonds (distance) P-C4' energy: -57.164
flat angles C4'-P-C4' energy: -63.445
flat angles P-C4'-P energy: -30.421
tors. eta vs tors. theta energy: -61.038
Dist. restrs. and SS energy: 4.717 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -856.710640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.710640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.823007 (E_RNA)
where:
Base-Base interactions energy: -593.153
where: short stacking energy: -229.984
Base-Backbone interact. energy: 0.169
local terms energy: -266.839367
where:
bonds (distance) C4'-P energy: -50.870
bonds (distance) P-C4' energy: -56.410
flat angles C4'-P-C4' energy: -65.935
flat angles P-C4'-P energy: -38.266
tors. eta vs tors. theta energy: -55.358
Dist. restrs. and SS energy: 3.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -802.477007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.477007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.314966 (E_RNA)
where:
Base-Base interactions energy: -550.153
where: short stacking energy: -222.546
Base-Backbone interact. energy: -1.246
local terms energy: -263.916601
where:
bonds (distance) C4'-P energy: -57.340
bonds (distance) P-C4' energy: -63.602
flat angles C4'-P-C4' energy: -62.541
flat angles P-C4'-P energy: -30.743
tors. eta vs tors. theta energy: -49.690
Dist. restrs. and SS energy: 12.838 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -825.475033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.475033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.355219 (E_RNA)
where:
Base-Base interactions energy: -586.882
where: short stacking energy: -226.897
Base-Backbone interact. energy: 3.816
local terms energy: -251.288435
where:
bonds (distance) C4'-P energy: -53.938
bonds (distance) P-C4' energy: -55.373
flat angles C4'-P-C4' energy: -66.900
flat angles P-C4'-P energy: -31.564
tors. eta vs tors. theta energy: -43.513
Dist. restrs. and SS energy: 8.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -1217.151888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.151888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.918305 (E_RNA)
where:
Base-Base interactions energy: -866.727
where: short stacking energy: -339.425
Base-Backbone interact. energy: -0.819
local terms energy: -352.372129
where:
bonds (distance) C4'-P energy: -66.118
bonds (distance) P-C4' energy: -64.422
flat angles C4'-P-C4' energy: -72.416
flat angles P-C4'-P energy: -61.903
tors. eta vs tors. theta energy: -87.514
Dist. restrs. and SS energy: 2.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -1186.701006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.701006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.851812 (E_RNA)
where:
Base-Base interactions energy: -813.929
where: short stacking energy: -331.728
Base-Backbone interact. energy: -0.536
local terms energy: -375.386187
where:
bonds (distance) C4'-P energy: -71.452
bonds (distance) P-C4' energy: -72.681
flat angles C4'-P-C4' energy: -82.303
flat angles P-C4'-P energy: -51.991
tors. eta vs tors. theta energy: -96.960
Dist. restrs. and SS energy: 3.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -1140.426431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.426431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.852202 (E_RNA)
where:
Base-Base interactions energy: -792.587
where: short stacking energy: -335.606
Base-Backbone interact. energy: -3.022
local terms energy: -348.242556
where:
bonds (distance) C4'-P energy: -66.424
bonds (distance) P-C4' energy: -65.262
flat angles C4'-P-C4' energy: -64.500
flat angles P-C4'-P energy: -52.855
tors. eta vs tors. theta energy: -99.202
Dist. restrs. and SS energy: 3.426 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -1061.259760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.259760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.095799 (E_RNA)
where:
Base-Base interactions energy: -762.180
where: short stacking energy: -301.522
Base-Backbone interact. energy: -1.075
local terms energy: -300.841501
where:
bonds (distance) C4'-P energy: -61.706
bonds (distance) P-C4' energy: -53.125
flat angles C4'-P-C4' energy: -61.841
flat angles P-C4'-P energy: -37.832
tors. eta vs tors. theta energy: -86.338
Dist. restrs. and SS energy: 2.836 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -1050.969346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.969346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.156420 (E_RNA)
where:
Base-Base interactions energy: -730.988
where: short stacking energy: -294.633
Base-Backbone interact. energy: -3.476
local terms energy: -319.691598
where:
bonds (distance) C4'-P energy: -63.391
bonds (distance) P-C4' energy: -58.342
flat angles C4'-P-C4' energy: -67.874
flat angles P-C4'-P energy: -45.065
tors. eta vs tors. theta energy: -85.020
Dist. restrs. and SS energy: 3.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -955.175474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.175474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.198832 (E_RNA)
where:
Base-Base interactions energy: -676.987
where: short stacking energy: -278.047
Base-Backbone interact. energy: -1.033
local terms energy: -280.178921
where:
bonds (distance) C4'-P energy: -42.656
bonds (distance) P-C4' energy: -72.971
flat angles C4'-P-C4' energy: -63.823
flat angles P-C4'-P energy: -35.836
tors. eta vs tors. theta energy: -64.893
Dist. restrs. and SS energy: 3.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -972.207148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.207148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.199755 (E_RNA)
where:
Base-Base interactions energy: -684.084
where: short stacking energy: -261.512
Base-Backbone interact. energy: -0.442
local terms energy: -293.674376
where:
bonds (distance) C4'-P energy: -60.731
bonds (distance) P-C4' energy: -48.187
flat angles C4'-P-C4' energy: -76.284
flat angles P-C4'-P energy: -46.375
tors. eta vs tors. theta energy: -62.097
Dist. restrs. and SS energy: 5.993 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -896.614673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.614673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.430874 (E_RNA)
where:
Base-Base interactions energy: -620.688
where: short stacking energy: -229.901
Base-Backbone interact. energy: -2.049
local terms energy: -281.694717
where:
bonds (distance) C4'-P energy: -55.261
bonds (distance) P-C4' energy: -60.756
flat angles C4'-P-C4' energy: -59.882
flat angles P-C4'-P energy: -41.341
tors. eta vs tors. theta energy: -64.454
Dist. restrs. and SS energy: 7.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -874.452486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.452486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.433808 (E_RNA)
where:
Base-Base interactions energy: -592.674
where: short stacking energy: -225.630
Base-Backbone interact. energy: -2.609
local terms energy: -283.150237
where:
bonds (distance) C4'-P energy: -66.635
bonds (distance) P-C4' energy: -63.456
flat angles C4'-P-C4' energy: -55.451
flat angles P-C4'-P energy: -47.640
tors. eta vs tors. theta energy: -49.968
Dist. restrs. and SS energy: 3.981 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -810.205126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.205126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.102257 (E_RNA)
where:
Base-Base interactions energy: -574.937
where: short stacking energy: -231.474
Base-Backbone interact. energy: -2.069
local terms energy: -244.097013
where:
bonds (distance) C4'-P energy: -48.507
bonds (distance) P-C4' energy: -53.113
flat angles C4'-P-C4' energy: -56.785
flat angles P-C4'-P energy: -30.826
tors. eta vs tors. theta energy: -54.866
Dist. restrs. and SS energy: 10.897 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -1187.443132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.443132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.116264 (E_RNA)
where:
Base-Base interactions energy: -846.590
where: short stacking energy: -320.861
Base-Backbone interact. energy: -1.532
local terms energy: -341.994474
where:
bonds (distance) C4'-P energy: -71.565
bonds (distance) P-C4' energy: -72.176
flat angles C4'-P-C4' energy: -63.505
flat angles P-C4'-P energy: -55.896
tors. eta vs tors. theta energy: -78.853
Dist. restrs. and SS energy: 2.673 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -1175.703948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.703948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.601695 (E_RNA)
where:
Base-Base interactions energy: -825.179
where: short stacking energy: -341.321
Base-Backbone interact. energy: -1.637
local terms energy: -351.786569
where:
bonds (distance) C4'-P energy: -64.646
bonds (distance) P-C4' energy: -69.562
flat angles C4'-P-C4' energy: -74.564
flat angles P-C4'-P energy: -50.206
tors. eta vs tors. theta energy: -92.809
Dist. restrs. and SS energy: 2.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -1133.209571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.209571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.440089 (E_RNA)
where:
Base-Base interactions energy: -778.574
where: short stacking energy: -330.336
Base-Backbone interact. energy: 0.090
local terms energy: -357.956045
where:
bonds (distance) C4'-P energy: -73.511
bonds (distance) P-C4' energy: -63.559
flat angles C4'-P-C4' energy: -72.535
flat angles P-C4'-P energy: -52.763
tors. eta vs tors. theta energy: -95.588
Dist. restrs. and SS energy: 3.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -1062.346034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.346034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.066918 (E_RNA)
where:
Base-Base interactions energy: -725.257
where: short stacking energy: -295.757
Base-Backbone interact. energy: -1.777
local terms energy: -339.033353
where:
bonds (distance) C4'-P energy: -68.755
bonds (distance) P-C4' energy: -68.119
flat angles C4'-P-C4' energy: -68.039
flat angles P-C4'-P energy: -50.062
tors. eta vs tors. theta energy: -84.058
Dist. restrs. and SS energy: 3.721 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -1041.799807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.799807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.163026 (E_RNA)
where:
Base-Base interactions energy: -719.377
where: short stacking energy: -296.796
Base-Backbone interact. energy: -2.685
local terms energy: -323.100404
where:
bonds (distance) C4'-P energy: -68.505
bonds (distance) P-C4' energy: -53.555
flat angles C4'-P-C4' energy: -68.404
flat angles P-C4'-P energy: -49.724
tors. eta vs tors. theta energy: -82.913
Dist. restrs. and SS energy: 3.363 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -986.403521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.403521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.293531 (E_RNA)
where:
Base-Base interactions energy: -688.726
where: short stacking energy: -265.040
Base-Backbone interact. energy: -4.228
local terms energy: -296.339530
where:
bonds (distance) C4'-P energy: -59.997
bonds (distance) P-C4' energy: -55.754
flat angles C4'-P-C4' energy: -64.958
flat angles P-C4'-P energy: -50.825
tors. eta vs tors. theta energy: -64.805
Dist. restrs. and SS energy: 2.890 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -897.838476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.838476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.444776 (E_RNA)
where:
Base-Base interactions energy: -625.181
where: short stacking energy: -247.115
Base-Backbone interact. energy: 1.115
local terms energy: -278.378506
where:
bonds (distance) C4'-P energy: -53.054
bonds (distance) P-C4' energy: -45.715
flat angles C4'-P-C4' energy: -80.511
flat angles P-C4'-P energy: -34.590
tors. eta vs tors. theta energy: -64.508
Dist. restrs. and SS energy: 4.606 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -887.617687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.617687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.872215 (E_RNA)
where:
Base-Base interactions energy: -620.176
where: short stacking energy: -239.434
Base-Backbone interact. energy: -1.744
local terms energy: -270.951950
where:
bonds (distance) C4'-P energy: -49.085
bonds (distance) P-C4' energy: -61.171
flat angles C4'-P-C4' energy: -57.064
flat angles P-C4'-P energy: -42.397
tors. eta vs tors. theta energy: -61.235
Dist. restrs. and SS energy: 5.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -868.041458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.041458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.689486 (E_RNA)
where:
Base-Base interactions energy: -597.966
where: short stacking energy: -238.540
Base-Backbone interact. energy: 1.405
local terms energy: -280.128222
where:
bonds (distance) C4'-P energy: -64.673
bonds (distance) P-C4' energy: -51.624
flat angles C4'-P-C4' energy: -69.814
flat angles P-C4'-P energy: -34.200
tors. eta vs tors. theta energy: -59.817
Dist. restrs. and SS energy: 8.648 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -829.275435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.275435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.545584 (E_RNA)
where:
Base-Base interactions energy: -578.655
where: short stacking energy: -222.626
Base-Backbone interact. energy: -0.872
local terms energy: -259.018197
where:
bonds (distance) C4'-P energy: -48.304
bonds (distance) P-C4' energy: -66.162
flat angles C4'-P-C4' energy: -54.425
flat angles P-C4'-P energy: -38.678
tors. eta vs tors. theta energy: -51.449
Dist. restrs. and SS energy: 9.270 (S_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: 134
Temperature: 0.900000
Total energy: -1196.932331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.932331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.557954 (E_RNA)
where:
Base-Base interactions energy: -841.203
where: short stacking energy: -346.236
Base-Backbone interact. energy: 1.109
local terms energy: -359.463463
where:
bonds (distance) C4'-P energy: -70.344
bonds (distance) P-C4' energy: -67.883
flat angles C4'-P-C4' energy: -70.788
flat angles P-C4'-P energy: -47.223
tors. eta vs tors. theta energy: -103.224
Dist. restrs. and SS energy: 2.626 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -1146.485155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.485155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.376892 (E_RNA)
where:
Base-Base interactions energy: -818.964
where: short stacking energy: -309.784
Base-Backbone interact. energy: 1.413
local terms energy: -331.826594
where:
bonds (distance) C4'-P energy: -65.861
bonds (distance) P-C4' energy: -71.011
flat angles C4'-P-C4' energy: -68.226
flat angles P-C4'-P energy: -52.727
tors. eta vs tors. theta energy: -74.001
Dist. restrs. and SS energy: 2.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -1136.717038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.717038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.841743 (E_RNA)
where:
Base-Base interactions energy: -797.623
where: short stacking energy: -322.322
Base-Backbone interact. energy: -1.169
local terms energy: -341.049833
where:
bonds (distance) C4'-P energy: -57.080
bonds (distance) P-C4' energy: -67.515
flat angles C4'-P-C4' energy: -73.135
flat angles P-C4'-P energy: -52.724
tors. eta vs tors. theta energy: -90.596
Dist. restrs. and SS energy: 3.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -1062.326301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.326301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.020719 (E_RNA)
where:
Base-Base interactions energy: -735.079
where: short stacking energy: -304.216
Base-Backbone interact. energy: -2.441
local terms energy: -328.500921
where:
bonds (distance) C4'-P energy: -64.419
bonds (distance) P-C4' energy: -58.050
flat angles C4'-P-C4' energy: -73.630
flat angles P-C4'-P energy: -49.828
tors. eta vs tors. theta energy: -82.574
Dist. restrs. and SS energy: 3.694 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -1049.402454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.402454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.142394 (E_RNA)
where:
Base-Base interactions energy: -743.841
where: short stacking energy: -305.780
Base-Backbone interact. energy: 0.109
local terms energy: -313.409833
where:
bonds (distance) C4'-P energy: -63.171
bonds (distance) P-C4' energy: -55.417
flat angles C4'-P-C4' energy: -63.607
flat angles P-C4'-P energy: -44.734
tors. eta vs tors. theta energy: -86.482
Dist. restrs. and SS energy: 7.740 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -953.857026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.857026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.018424 (E_RNA)
where:
Base-Base interactions energy: -657.645
where: short stacking energy: -240.554
Base-Backbone interact. energy: -1.345
local terms energy: -298.028273
where:
bonds (distance) C4'-P energy: -66.470
bonds (distance) P-C4' energy: -63.219
flat angles C4'-P-C4' energy: -59.401
flat angles P-C4'-P energy: -45.344
tors. eta vs tors. theta energy: -63.594
Dist. restrs. and SS energy: 3.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -914.557680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.557680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.149241 (E_RNA)
where:
Base-Base interactions energy: -627.287
where: short stacking energy: -262.678
Base-Backbone interact. energy: 0.101
local terms energy: -296.963351
where:
bonds (distance) C4'-P energy: -53.642
bonds (distance) P-C4' energy: -53.809
flat angles C4'-P-C4' energy: -68.298
flat angles P-C4'-P energy: -53.257
tors. eta vs tors. theta energy: -67.957
Dist. restrs. and SS energy: 9.592 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -874.340110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.340110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.808717 (E_RNA)
where:
Base-Base interactions energy: -595.334
where: short stacking energy: -235.444
Base-Backbone interact. energy: -2.351
local terms energy: -287.123919
where:
bonds (distance) C4'-P energy: -63.876
bonds (distance) P-C4' energy: -65.322
flat angles C4'-P-C4' energy: -55.334
flat angles P-C4'-P energy: -41.893
tors. eta vs tors. theta energy: -60.700
Dist. restrs. and SS energy: 10.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -853.771342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.771342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.549106 (E_RNA)
where:
Base-Base interactions energy: -591.704
where: short stacking energy: -228.414
Base-Backbone interact. energy: -0.024
local terms energy: -272.821366
where:
bonds (distance) C4'-P energy: -62.181
bonds (distance) P-C4' energy: -66.821
flat angles C4'-P-C4' energy: -55.878
flat angles P-C4'-P energy: -26.647
tors. eta vs tors. theta energy: -61.294
Dist. restrs. and SS energy: 10.778 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -782.509426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.509426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.095960 (E_RNA)
where:
Base-Base interactions energy: -545.493
where: short stacking energy: -207.728
Base-Backbone interact. energy: 1.187
local terms energy: -264.790595
where:
bonds (distance) C4'-P energy: -64.514
bonds (distance) P-C4' energy: -61.066
flat angles C4'-P-C4' energy: -61.552
flat angles P-C4'-P energy: -33.752
tors. eta vs tors. theta energy: -43.907
Dist. restrs. and SS energy: 26.587 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -1211.172460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.172460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.102884 (E_RNA)
where:
Base-Base interactions energy: -846.605
where: short stacking energy: -332.563
Base-Backbone interact. energy: -2.562
local terms energy: -364.935924
where:
bonds (distance) C4'-P energy: -60.560
bonds (distance) P-C4' energy: -65.970
flat angles C4'-P-C4' energy: -81.912
flat angles P-C4'-P energy: -57.540
tors. eta vs tors. theta energy: -98.953
Dist. restrs. and SS energy: 2.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -1156.451364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.451364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.430333 (E_RNA)
where:
Base-Base interactions energy: -793.630
where: short stacking energy: -324.618
Base-Backbone interact. energy: -0.918
local terms energy: -364.882938
where:
bonds (distance) C4'-P energy: -73.326
bonds (distance) P-C4' energy: -65.985
flat angles C4'-P-C4' energy: -77.392
flat angles P-C4'-P energy: -52.688
tors. eta vs tors. theta energy: -95.492
Dist. restrs. and SS energy: 2.979 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -1150.756148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.756148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.080340 (E_RNA)
where:
Base-Base interactions energy: -828.531
where: short stacking energy: -326.193
Base-Backbone interact. energy: -3.544
local terms energy: -322.005424
where:
bonds (distance) C4'-P energy: -64.283
bonds (distance) P-C4' energy: -60.123
flat angles C4'-P-C4' energy: -67.034
flat angles P-C4'-P energy: -52.441
tors. eta vs tors. theta energy: -78.124
Dist. restrs. and SS energy: 3.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -1046.481666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.481666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.969194 (E_RNA)
where:
Base-Base interactions energy: -722.609
where: short stacking energy: -306.135
Base-Backbone interact. energy: -1.009
local terms energy: -330.351905
where:
bonds (distance) C4'-P energy: -58.825
bonds (distance) P-C4' energy: -74.711
flat angles C4'-P-C4' energy: -66.015
flat angles P-C4'-P energy: -44.616
tors. eta vs tors. theta energy: -86.186
Dist. restrs. and SS energy: 7.488 (S_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: 135
Temperature: 1.100000
Total energy: -1043.250394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.250394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.692814 (E_RNA)
where:
Base-Base interactions energy: -710.612
where: short stacking energy: -291.386
Base-Backbone interact. energy: -2.027
local terms energy: -334.054139
where:
bonds (distance) C4'-P energy: -65.472
bonds (distance) P-C4' energy: -63.594
flat angles C4'-P-C4' energy: -69.389
flat angles P-C4'-P energy: -47.975
tors. eta vs tors. theta energy: -87.624
Dist. restrs. and SS energy: 3.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -1007.077520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.077520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.316031 (E_RNA)
where:
Base-Base interactions energy: -716.076
where: short stacking energy: -287.443
Base-Backbone interact. energy: -1.217
local terms energy: -293.022829
where:
bonds (distance) C4'-P energy: -56.410
bonds (distance) P-C4' energy: -56.040
flat angles C4'-P-C4' energy: -64.726
flat angles P-C4'-P energy: -35.542
tors. eta vs tors. theta energy: -80.305
Dist. restrs. and SS energy: 3.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -925.855811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.855811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.493566 (E_RNA)
where:
Base-Base interactions energy: -640.630
where: short stacking energy: -264.341
Base-Backbone interact. energy: -1.038
local terms energy: -291.824752
where:
bonds (distance) C4'-P energy: -58.478
bonds (distance) P-C4' energy: -57.986
flat angles C4'-P-C4' energy: -57.384
flat angles P-C4'-P energy: -40.742
tors. eta vs tors. theta energy: -77.234
Dist. restrs. and SS energy: 7.638 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -891.806502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.806502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.449419 (E_RNA)
where:
Base-Base interactions energy: -630.935
where: short stacking energy: -246.108
Base-Backbone interact. energy: -1.302
local terms energy: -266.213223
where:
bonds (distance) C4'-P energy: -62.774
bonds (distance) P-C4' energy: -57.846
flat angles C4'-P-C4' energy: -49.447
flat angles P-C4'-P energy: -46.373
tors. eta vs tors. theta energy: -49.774
Dist. restrs. and SS energy: 6.643 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -843.666833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.666833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.162339 (E_RNA)
where:
Base-Base interactions energy: -584.428
where: short stacking energy: -235.403
Base-Backbone interact. energy: -1.497
local terms energy: -270.237437
where:
bonds (distance) C4'-P energy: -57.552
bonds (distance) P-C4' energy: -62.996
flat angles C4'-P-C4' energy: -59.836
flat angles P-C4'-P energy: -35.912
tors. eta vs tors. theta energy: -53.942
Dist. restrs. and SS energy: 12.496 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -799.137417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.137417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.298990 (E_RNA)
where:
Base-Base interactions energy: -574.514
where: short stacking energy: -222.542
Base-Backbone interact. energy: -2.089
local terms energy: -236.695822
where:
bonds (distance) C4'-P energy: -43.901
bonds (distance) P-C4' energy: -57.307
flat angles C4'-P-C4' energy: -50.838
flat angles P-C4'-P energy: -39.402
tors. eta vs tors. theta energy: -45.248
Dist. restrs. and SS energy: 14.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -1204.269709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.269709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.306498 (E_RNA)
where:
Base-Base interactions energy: -849.957
where: short stacking energy: -359.780
Base-Backbone interact. energy: -1.185
local terms energy: -356.164150
where:
bonds (distance) C4'-P energy: -63.860
bonds (distance) P-C4' energy: -62.690
flat angles C4'-P-C4' energy: -74.061
flat angles P-C4'-P energy: -55.635
tors. eta vs tors. theta energy: -99.917
Dist. restrs. and SS energy: 3.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -1186.582573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.582573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.562946 (E_RNA)
where:
Base-Base interactions energy: -851.626
where: short stacking energy: -348.667
Base-Backbone interact. energy: -0.581
local terms energy: -337.356030
where:
bonds (distance) C4'-P energy: -60.754
bonds (distance) P-C4' energy: -51.106
flat angles C4'-P-C4' energy: -77.319
flat angles P-C4'-P energy: -51.851
tors. eta vs tors. theta energy: -96.326
Dist. restrs. and SS energy: 2.980 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -1134.145997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.145997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.862963 (E_RNA)
where:
Base-Base interactions energy: -797.353
where: short stacking energy: -302.495
Base-Backbone interact. energy: -1.389
local terms energy: -339.120986
where:
bonds (distance) C4'-P energy: -66.317
bonds (distance) P-C4' energy: -66.581
flat angles C4'-P-C4' energy: -77.595
flat angles P-C4'-P energy: -47.370
tors. eta vs tors. theta energy: -81.258
Dist. restrs. and SS energy: 3.717 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -1078.647675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.647675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.857905 (E_RNA)
where:
Base-Base interactions energy: -744.822
where: short stacking energy: -287.885
Base-Backbone interact. energy: -0.489
local terms energy: -338.546628
where:
bonds (distance) C4'-P energy: -72.443
bonds (distance) P-C4' energy: -71.255
flat angles C4'-P-C4' energy: -70.991
flat angles P-C4'-P energy: -43.637
tors. eta vs tors. theta energy: -80.220
Dist. restrs. and SS energy: 5.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -1015.696652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.696652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.667223 (E_RNA)
where:
Base-Base interactions energy: -709.930
where: short stacking energy: -273.108
Base-Backbone interact. energy: -1.150
local terms energy: -308.587197
where:
bonds (distance) C4'-P energy: -62.124
bonds (distance) P-C4' energy: -61.705
flat angles C4'-P-C4' energy: -66.998
flat angles P-C4'-P energy: -45.898
tors. eta vs tors. theta energy: -71.862
Dist. restrs. and SS energy: 3.971 (S_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: 136
Temperature: 1.150000
Total energy: -999.203475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.203475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.584169 (E_RNA)
where:
Base-Base interactions energy: -694.870
where: short stacking energy: -267.530
Base-Backbone interact. energy: 0.959
local terms energy: -308.673160
where:
bonds (distance) C4'-P energy: -47.399
bonds (distance) P-C4' energy: -68.373
flat angles C4'-P-C4' energy: -72.107
flat angles P-C4'-P energy: -46.949
tors. eta vs tors. theta energy: -73.844
Dist. restrs. and SS energy: 3.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -920.281117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.281117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.922347 (E_RNA)
where:
Base-Base interactions energy: -635.178
where: short stacking energy: -251.382
Base-Backbone interact. energy: 0.768
local terms energy: -292.513118
where:
bonds (distance) C4'-P energy: -64.187
bonds (distance) P-C4' energy: -66.290
flat angles C4'-P-C4' energy: -66.524
flat angles P-C4'-P energy: -37.962
tors. eta vs tors. theta energy: -57.550
Dist. restrs. and SS energy: 6.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -905.106461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.106461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.860276 (E_RNA)
where:
Base-Base interactions energy: -648.643
where: short stacking energy: -247.753
Base-Backbone interact. energy: -1.038
local terms energy: -260.179794
where:
bonds (distance) C4'-P energy: -47.645
bonds (distance) P-C4' energy: -67.439
flat angles C4'-P-C4' energy: -61.214
flat angles P-C4'-P energy: -29.070
tors. eta vs tors. theta energy: -54.812
Dist. restrs. and SS energy: 4.754 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -837.635436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.635436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.592127 (E_RNA)
where:
Base-Base interactions energy: -585.769
where: short stacking energy: -244.901
Base-Backbone interact. energy: 2.085
local terms energy: -266.907256
where:
bonds (distance) C4'-P energy: -52.883
bonds (distance) P-C4' energy: -56.953
flat angles C4'-P-C4' energy: -64.447
flat angles P-C4'-P energy: -37.836
tors. eta vs tors. theta energy: -54.789
Dist. restrs. and SS energy: 12.957 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -799.262593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.262593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.880448 (E_RNA)
where:
Base-Base interactions energy: -560.499
where: short stacking energy: -226.812
Base-Backbone interact. energy: -0.656
local terms energy: -245.724712
where:
bonds (distance) C4'-P energy: -55.041
bonds (distance) P-C4' energy: -44.660
flat angles C4'-P-C4' energy: -68.335
flat angles P-C4'-P energy: -33.072
tors. eta vs tors. theta energy: -44.616
Dist. restrs. and SS energy: 7.618 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -1221.287580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.287580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.221718 (E_RNA)
where:
Base-Base interactions energy: -862.583
where: short stacking energy: -361.908
Base-Backbone interact. energy: 4.925
local terms energy: -366.564393
where:
bonds (distance) C4'-P energy: -61.694
bonds (distance) P-C4' energy: -71.259
flat angles C4'-P-C4' energy: -74.203
flat angles P-C4'-P energy: -57.491
tors. eta vs tors. theta energy: -101.918
Dist. restrs. and SS energy: 2.934 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -1210.423514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.423514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.312002 (E_RNA)
where:
Base-Base interactions energy: -852.123
where: short stacking energy: -349.594
Base-Backbone interact. energy: 0.242
local terms energy: -361.431774
where:
bonds (distance) C4'-P energy: -70.821
bonds (distance) P-C4' energy: -69.890
flat angles C4'-P-C4' energy: -73.017
flat angles P-C4'-P energy: -41.724
tors. eta vs tors. theta energy: -105.980
Dist. restrs. and SS energy: 2.888 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -1142.974687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.974687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.065540 (E_RNA)
where:
Base-Base interactions energy: -804.505
where: short stacking energy: -299.831
Base-Backbone interact. energy: -2.888
local terms energy: -338.672499
where:
bonds (distance) C4'-P energy: -55.853
bonds (distance) P-C4' energy: -73.138
flat angles C4'-P-C4' energy: -65.041
flat angles P-C4'-P energy: -50.575
tors. eta vs tors. theta energy: -94.066
Dist. restrs. and SS energy: 3.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -1054.349120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.349120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.158113 (E_RNA)
where:
Base-Base interactions energy: -727.826
where: short stacking energy: -290.847
Base-Backbone interact. energy: -1.707
local terms energy: -332.624885
where:
bonds (distance) C4'-P energy: -65.682
bonds (distance) P-C4' energy: -64.268
flat angles C4'-P-C4' energy: -65.411
flat angles P-C4'-P energy: -52.710
tors. eta vs tors. theta energy: -84.555
Dist. restrs. and SS energy: 7.809 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -1018.016567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.016567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.974126 (E_RNA)
where:
Base-Base interactions energy: -710.892
where: short stacking energy: -287.663
Base-Backbone interact. energy: -0.051
local terms energy: -310.031407
where:
bonds (distance) C4'-P energy: -60.438
bonds (distance) P-C4' energy: -65.486
flat angles C4'-P-C4' energy: -73.257
flat angles P-C4'-P energy: -39.370
tors. eta vs tors. theta energy: -71.480
Dist. restrs. and SS energy: 2.958 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -1013.307577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.307577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.014616 (E_RNA)
where:
Base-Base interactions energy: -712.659
where: short stacking energy: -287.863
Base-Backbone interact. energy: -2.006
local terms energy: -302.349519
where:
bonds (distance) C4'-P energy: -60.741
bonds (distance) P-C4' energy: -55.014
flat angles C4'-P-C4' energy: -67.054
flat angles P-C4'-P energy: -44.140
tors. eta vs tors. theta energy: -75.400
Dist. restrs. and SS energy: 3.707 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -930.065009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.065009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.134024 (E_RNA)
where:
Base-Base interactions energy: -644.554
where: short stacking energy: -262.913
Base-Backbone interact. energy: -3.352
local terms energy: -287.228764
where:
bonds (distance) C4'-P energy: -45.420
bonds (distance) P-C4' energy: -56.177
flat angles C4'-P-C4' energy: -62.682
flat angles P-C4'-P energy: -49.342
tors. eta vs tors. theta energy: -73.606
Dist. restrs. and SS energy: 5.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -897.815141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.815141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.753730 (E_RNA)
where:
Base-Base interactions energy: -624.549
where: short stacking energy: -257.601
Base-Backbone interact. energy: 1.738
local terms energy: -279.942767
where:
bonds (distance) C4'-P energy: -54.570
bonds (distance) P-C4' energy: -61.275
flat angles C4'-P-C4' energy: -59.190
flat angles P-C4'-P energy: -39.428
tors. eta vs tors. theta energy: -65.481
Dist. restrs. and SS energy: 4.939 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -871.056333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.056333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.410766 (E_RNA)
where:
Base-Base interactions energy: -605.822
where: short stacking energy: -232.930
Base-Backbone interact. energy: -0.298
local terms energy: -272.290464
where:
bonds (distance) C4'-P energy: -48.846
bonds (distance) P-C4' energy: -66.273
flat angles C4'-P-C4' energy: -51.859
flat angles P-C4'-P energy: -45.287
tors. eta vs tors. theta energy: -60.026
Dist. restrs. and SS energy: 7.354 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -768.120683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.120683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.558800 (E_RNA)
where:
Base-Base interactions energy: -528.154
where: short stacking energy: -199.478
Base-Backbone interact. energy: -0.714
local terms energy: -250.690793
where:
bonds (distance) C4'-P energy: -60.492
bonds (distance) P-C4' energy: -53.686
flat angles C4'-P-C4' energy: -54.104
flat angles P-C4'-P energy: -33.304
tors. eta vs tors. theta energy: -49.104
Dist. restrs. and SS energy: 11.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -1212.576118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.576118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.171951 (E_RNA)
where:
Base-Base interactions energy: -851.032
where: short stacking energy: -357.044
Base-Backbone interact. energy: -1.219
local terms energy: -362.921313
where:
bonds (distance) C4'-P energy: -67.312
bonds (distance) P-C4' energy: -64.832
flat angles C4'-P-C4' energy: -75.517
flat angles P-C4'-P energy: -58.074
tors. eta vs tors. theta energy: -97.187
Dist. restrs. and SS energy: 2.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -1184.413204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.413204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.460278 (E_RNA)
where:
Base-Base interactions energy: -822.639
where: short stacking energy: -344.347
Base-Backbone interact. energy: 1.471
local terms energy: -366.292389
where:
bonds (distance) C4'-P energy: -69.384
bonds (distance) P-C4' energy: -73.226
flat angles C4'-P-C4' energy: -76.013
flat angles P-C4'-P energy: -49.217
tors. eta vs tors. theta energy: -98.453
Dist. restrs. and SS energy: 3.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -1137.401726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.401726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.666375 (E_RNA)
where:
Base-Base interactions energy: -810.289
where: short stacking energy: -316.096
Base-Backbone interact. energy: -1.818
local terms energy: -328.559952
where:
bonds (distance) C4'-P energy: -65.701
bonds (distance) P-C4' energy: -64.741
flat angles C4'-P-C4' energy: -67.405
flat angles P-C4'-P energy: -45.622
tors. eta vs tors. theta energy: -85.091
Dist. restrs. and SS energy: 3.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -1067.238552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.238552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.578328 (E_RNA)
where:
Base-Base interactions energy: -746.559
where: short stacking energy: -289.763
Base-Backbone interact. energy: -4.088
local terms energy: -321.931789
where:
bonds (distance) C4'-P energy: -62.003
bonds (distance) P-C4' energy: -64.331
flat angles C4'-P-C4' energy: -62.365
flat angles P-C4'-P energy: -54.159
tors. eta vs tors. theta energy: -79.074
Dist. restrs. and SS energy: 5.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -1009.877908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.877908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.144055 (E_RNA)
where:
Base-Base interactions energy: -712.989
where: short stacking energy: -284.046
Base-Backbone interact. energy: -2.856
local terms energy: -297.298522
where:
bonds (distance) C4'-P energy: -60.063
bonds (distance) P-C4' energy: -68.949
flat angles C4'-P-C4' energy: -64.342
flat angles P-C4'-P energy: -35.743
tors. eta vs tors. theta energy: -68.202
Dist. restrs. and SS energy: 3.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -980.835904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.835904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.828259 (E_RNA)
where:
Base-Base interactions energy: -681.325
where: short stacking energy: -276.087
Base-Backbone interact. energy: -1.205
local terms energy: -307.298976
where:
bonds (distance) C4'-P energy: -66.384
bonds (distance) P-C4' energy: -62.120
flat angles C4'-P-C4' energy: -60.403
flat angles P-C4'-P energy: -46.896
tors. eta vs tors. theta energy: -71.496
Dist. restrs. and SS energy: 8.992 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -913.567958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.567958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.752941 (E_RNA)
where:
Base-Base interactions energy: -636.868
where: short stacking energy: -246.519
Base-Backbone interact. energy: 2.437
local terms energy: -284.322086
where:
bonds (distance) C4'-P energy: -61.241
bonds (distance) P-C4' energy: -52.792
flat angles C4'-P-C4' energy: -66.955
flat angles P-C4'-P energy: -44.680
tors. eta vs tors. theta energy: -58.654
Dist. restrs. and SS energy: 5.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -905.185012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.185012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.297183 (E_RNA)
where:
Base-Base interactions energy: -636.904
where: short stacking energy: -258.471
Base-Backbone interact. energy: -0.168
local terms energy: -276.225818
where:
bonds (distance) C4'-P energy: -51.744
bonds (distance) P-C4' energy: -48.711
flat angles C4'-P-C4' energy: -59.408
flat angles P-C4'-P energy: -40.932
tors. eta vs tors. theta energy: -75.431
Dist. restrs. and SS energy: 8.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -891.861867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.861867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.941025 (E_RNA)
where:
Base-Base interactions energy: -624.430
where: short stacking energy: -254.572
Base-Backbone interact. energy: 7.406
local terms energy: -281.917499
where:
bonds (distance) C4'-P energy: -56.950
bonds (distance) P-C4' energy: -57.318
flat angles C4'-P-C4' energy: -61.445
flat angles P-C4'-P energy: -38.712
tors. eta vs tors. theta energy: -67.492
Dist. restrs. and SS energy: 7.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -777.515149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.515149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.520610 (E_RNA)
where:
Base-Base interactions energy: -549.397
where: short stacking energy: -213.733
Base-Backbone interact. energy: -1.236
local terms energy: -232.887201
where:
bonds (distance) C4'-P energy: -50.908
bonds (distance) P-C4' energy: -49.215
flat angles C4'-P-C4' energy: -68.510
flat angles P-C4'-P energy: -27.204
tors. eta vs tors. theta energy: -37.050
Dist. restrs. and SS energy: 6.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -1202.832194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.832194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.728505 (E_RNA)
where:
Base-Base interactions energy: -840.084
where: short stacking energy: -353.126
Base-Backbone interact. energy: 3.170
local terms energy: -369.814933
where:
bonds (distance) C4'-P energy: -63.881
bonds (distance) P-C4' energy: -71.030
flat angles C4'-P-C4' energy: -80.040
flat angles P-C4'-P energy: -58.794
tors. eta vs tors. theta energy: -96.070
Dist. restrs. and SS energy: 3.896 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -1187.839537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.839537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.248318 (E_RNA)
where:
Base-Base interactions energy: -837.160
where: short stacking energy: -339.134
Base-Backbone interact. energy: -1.425
local terms energy: -353.663371
where:
bonds (distance) C4'-P energy: -65.411
bonds (distance) P-C4' energy: -69.305
flat angles C4'-P-C4' energy: -70.194
flat angles P-C4'-P energy: -49.142
tors. eta vs tors. theta energy: -99.612
Dist. restrs. and SS energy: 4.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -1150.198531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.198531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.658755 (E_RNA)
where:
Base-Base interactions energy: -823.208
where: short stacking energy: -331.787
Base-Backbone interact. energy: -1.944
local terms energy: -328.507143
where:
bonds (distance) C4'-P energy: -67.148
bonds (distance) P-C4' energy: -68.686
flat angles C4'-P-C4' energy: -69.267
flat angles P-C4'-P energy: -41.022
tors. eta vs tors. theta energy: -82.384
Dist. restrs. and SS energy: 3.460 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -1064.216278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.216278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.864928 (E_RNA)
where:
Base-Base interactions energy: -741.136
where: short stacking energy: -294.256
Base-Backbone interact. energy: -0.018
local terms energy: -325.710143
where:
bonds (distance) C4'-P energy: -66.028
bonds (distance) P-C4' energy: -65.209
flat angles C4'-P-C4' energy: -72.674
flat angles P-C4'-P energy: -45.534
tors. eta vs tors. theta energy: -76.265
Dist. restrs. and SS energy: 2.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -986.657872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.657872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.508958 (E_RNA)
where:
Base-Base interactions energy: -686.489
where: short stacking energy: -270.222
Base-Backbone interact. energy: -2.660
local terms energy: -302.359397
where:
bonds (distance) C4'-P energy: -49.708
bonds (distance) P-C4' energy: -65.314
flat angles C4'-P-C4' energy: -71.370
flat angles P-C4'-P energy: -48.106
tors. eta vs tors. theta energy: -67.861
Dist. restrs. and SS energy: 4.851 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -988.790916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.790916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.301428 (E_RNA)
where:
Base-Base interactions energy: -674.909
where: short stacking energy: -273.548
Base-Backbone interact. energy: -0.912
local terms energy: -321.479854
where:
bonds (distance) C4'-P energy: -61.022
bonds (distance) P-C4' energy: -56.931
flat angles C4'-P-C4' energy: -80.565
flat angles P-C4'-P energy: -41.608
tors. eta vs tors. theta energy: -81.354
Dist. restrs. and SS energy: 8.511 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -970.168410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.168410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.328696 (E_RNA)
where:
Base-Base interactions energy: -679.499
where: short stacking energy: -284.866
Base-Backbone interact. energy: -0.198
local terms energy: -293.632426
where:
bonds (distance) C4'-P energy: -49.436
bonds (distance) P-C4' energy: -49.852
flat angles C4'-P-C4' energy: -78.058
flat angles P-C4'-P energy: -44.534
tors. eta vs tors. theta energy: -71.752
Dist. restrs. and SS energy: 3.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -884.050053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.050053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.362151 (E_RNA)
where:
Base-Base interactions energy: -629.444
where: short stacking energy: -247.665
Base-Backbone interact. energy: -0.467
local terms energy: -258.451374
where:
bonds (distance) C4'-P energy: -58.421
bonds (distance) P-C4' energy: -54.882
flat angles C4'-P-C4' energy: -59.119
flat angles P-C4'-P energy: -29.652
tors. eta vs tors. theta energy: -56.377
Dist. restrs. and SS energy: 4.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -871.273430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.273430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.259329 (E_RNA)
where:
Base-Base interactions energy: -597.003
where: short stacking energy: -240.466
Base-Backbone interact. energy: -0.733
local terms energy: -281.523455
where:
bonds (distance) C4'-P energy: -55.469
bonds (distance) P-C4' energy: -62.076
flat angles C4'-P-C4' energy: -65.193
flat angles P-C4'-P energy: -40.249
tors. eta vs tors. theta energy: -58.536
Dist. restrs. and SS energy: 7.986 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -793.593713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.593713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.672148 (E_RNA)
where:
Base-Base interactions energy: -547.798
where: short stacking energy: -200.578
Base-Backbone interact. energy: -2.167
local terms energy: -252.706923
where:
bonds (distance) C4'-P energy: -66.613
bonds (distance) P-C4' energy: -45.500
flat angles C4'-P-C4' energy: -59.692
flat angles P-C4'-P energy: -44.625
tors. eta vs tors. theta energy: -36.277
Dist. restrs. and SS energy: 9.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -1210.155595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.155595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.131396 (E_RNA)
where:
Base-Base interactions energy: -847.488
where: short stacking energy: -354.055
Base-Backbone interact. energy: 0.572
local terms energy: -367.215805
where:
bonds (distance) C4'-P energy: -70.717
bonds (distance) P-C4' energy: -61.594
flat angles C4'-P-C4' energy: -76.356
flat angles P-C4'-P energy: -55.847
tors. eta vs tors. theta energy: -102.702
Dist. restrs. and SS energy: 3.976 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -1151.580700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.580700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.545720 (E_RNA)
where:
Base-Base interactions energy: -796.302
where: short stacking energy: -337.838
Base-Backbone interact. energy: -1.414
local terms energy: -356.829626
where:
bonds (distance) C4'-P energy: -67.118
bonds (distance) P-C4' energy: -63.470
flat angles C4'-P-C4' energy: -75.380
flat angles P-C4'-P energy: -49.004
tors. eta vs tors. theta energy: -101.858
Dist. restrs. and SS energy: 2.965 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -1140.561783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.561783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.455032 (E_RNA)
where:
Base-Base interactions energy: -810.280
where: short stacking energy: -330.452
Base-Backbone interact. energy: 7.172
local terms energy: -341.347324
where:
bonds (distance) C4'-P energy: -68.052
bonds (distance) P-C4' energy: -64.294
flat angles C4'-P-C4' energy: -71.446
flat angles P-C4'-P energy: -50.928
tors. eta vs tors. theta energy: -86.627
Dist. restrs. and SS energy: 3.893 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -1051.475236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.475236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.738530 (E_RNA)
where:
Base-Base interactions energy: -736.773
where: short stacking energy: -295.953
Base-Backbone interact. energy: -2.513
local terms energy: -315.453257
where:
bonds (distance) C4'-P energy: -60.467
bonds (distance) P-C4' energy: -64.189
flat angles C4'-P-C4' energy: -75.858
flat angles P-C4'-P energy: -42.579
tors. eta vs tors. theta energy: -72.360
Dist. restrs. and SS energy: 3.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -1008.648479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.648479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.685955 (E_RNA)
where:
Base-Base interactions energy: -685.944
where: short stacking energy: -280.294
Base-Backbone interact. energy: -0.427
local terms energy: -326.315303
where:
bonds (distance) C4'-P energy: -57.921
bonds (distance) P-C4' energy: -75.930
flat angles C4'-P-C4' energy: -70.427
flat angles P-C4'-P energy: -51.770
tors. eta vs tors. theta energy: -70.268
Dist. restrs. and SS energy: 4.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -1013.083319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.083319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.995381 (E_RNA)
where:
Base-Base interactions energy: -700.070
where: short stacking energy: -278.700
Base-Backbone interact. energy: 1.873
local terms energy: -322.797671
where:
bonds (distance) C4'-P energy: -54.546
bonds (distance) P-C4' energy: -64.966
flat angles C4'-P-C4' energy: -63.531
flat angles P-C4'-P energy: -56.239
tors. eta vs tors. theta energy: -83.516
Dist. restrs. and SS energy: 7.912 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -973.084690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.084690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.929915 (E_RNA)
where:
Base-Base interactions energy: -689.125
where: short stacking energy: -282.130
Base-Backbone interact. energy: -0.443
local terms energy: -287.362135
where:
bonds (distance) C4'-P energy: -53.978
bonds (distance) P-C4' energy: -56.078
flat angles C4'-P-C4' energy: -60.121
flat angles P-C4'-P energy: -45.743
tors. eta vs tors. theta energy: -71.443
Dist. restrs. and SS energy: 3.845 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -912.938696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.938696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.104309 (E_RNA)
where:
Base-Base interactions energy: -626.076
where: short stacking energy: -234.264
Base-Backbone interact. energy: -1.526
local terms energy: -290.502535
where:
bonds (distance) C4'-P energy: -55.247
bonds (distance) P-C4' energy: -59.213
flat angles C4'-P-C4' energy: -67.811
flat angles P-C4'-P energy: -40.216
tors. eta vs tors. theta energy: -68.016
Dist. restrs. and SS energy: 5.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -865.981681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.981681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.563996 (E_RNA)
where:
Base-Base interactions energy: -618.093
where: short stacking energy: -236.972
Base-Backbone interact. energy: 0.453
local terms energy: -256.924051
where:
bonds (distance) C4'-P energy: -60.316
bonds (distance) P-C4' energy: -52.210
flat angles C4'-P-C4' energy: -54.619
flat angles P-C4'-P energy: -38.088
tors. eta vs tors. theta energy: -51.691
Dist. restrs. and SS energy: 8.582 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -808.700248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.700248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.316443 (E_RNA)
where:
Base-Base interactions energy: -566.797
where: short stacking energy: -219.000
Base-Backbone interact. energy: 2.474
local terms energy: -254.993324
where:
bonds (distance) C4'-P energy: -55.528
bonds (distance) P-C4' energy: -63.781
flat angles C4'-P-C4' energy: -53.296
flat angles P-C4'-P energy: -33.592
tors. eta vs tors. theta energy: -48.796
Dist. restrs. and SS energy: 10.616 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -1238.040867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.040867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.041946 (E_RNA)
where:
Base-Base interactions energy: -855.603
where: short stacking energy: -366.352
Base-Backbone interact. energy: -1.074
local terms energy: -385.365373
where:
bonds (distance) C4'-P energy: -66.683
bonds (distance) P-C4' energy: -75.491
flat angles C4'-P-C4' energy: -77.489
flat angles P-C4'-P energy: -54.037
tors. eta vs tors. theta energy: -111.666
Dist. restrs. and SS energy: 4.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -1191.387508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.387508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.979522 (E_RNA)
where:
Base-Base interactions energy: -845.019
where: short stacking energy: -327.105
Base-Backbone interact. energy: -2.696
local terms energy: -347.264487
where:
bonds (distance) C4'-P energy: -65.043
bonds (distance) P-C4' energy: -70.150
flat angles C4'-P-C4' energy: -70.064
flat angles P-C4'-P energy: -51.882
tors. eta vs tors. theta energy: -90.126
Dist. restrs. and SS energy: 3.592 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -1113.458868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.458868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.612352 (E_RNA)
where:
Base-Base interactions energy: -784.272
where: short stacking energy: -324.190
Base-Backbone interact. energy: -0.399
local terms energy: -333.940769
where:
bonds (distance) C4'-P energy: -55.427
bonds (distance) P-C4' energy: -65.311
flat angles C4'-P-C4' energy: -70.892
flat angles P-C4'-P energy: -48.860
tors. eta vs tors. theta energy: -93.452
Dist. restrs. and SS energy: 5.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -1084.888365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.888365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.597071 (E_RNA)
where:
Base-Base interactions energy: -764.987
where: short stacking energy: -309.001
Base-Backbone interact. energy: -1.480
local terms energy: -322.130216
where:
bonds (distance) C4'-P energy: -56.190
bonds (distance) P-C4' energy: -59.081
flat angles C4'-P-C4' energy: -70.574
flat angles P-C4'-P energy: -52.562
tors. eta vs tors. theta energy: -83.724
Dist. restrs. and SS energy: 3.709 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -1026.447146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.447146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.283570 (E_RNA)
where:
Base-Base interactions energy: -713.544
where: short stacking energy: -275.493
Base-Backbone interact. energy: 0.505
local terms energy: -317.244846
where:
bonds (distance) C4'-P energy: -61.771
bonds (distance) P-C4' energy: -62.478
flat angles C4'-P-C4' energy: -72.628
flat angles P-C4'-P energy: -49.041
tors. eta vs tors. theta energy: -71.327
Dist. restrs. and SS energy: 3.836 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -1009.672474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.672474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.636810 (E_RNA)
where:
Base-Base interactions energy: -705.328
where: short stacking energy: -277.320
Base-Backbone interact. energy: 0.368
local terms energy: -307.676294
where:
bonds (distance) C4'-P energy: -58.452
bonds (distance) P-C4' energy: -68.813
flat angles C4'-P-C4' energy: -66.034
flat angles P-C4'-P energy: -39.835
tors. eta vs tors. theta energy: -74.542
Dist. restrs. and SS energy: 2.964 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -1002.824091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.824091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.686203 (E_RNA)
where:
Base-Base interactions energy: -702.289
where: short stacking energy: -279.800
Base-Backbone interact. energy: -1.176
local terms energy: -305.221191
where:
bonds (distance) C4'-P energy: -53.216
bonds (distance) P-C4' energy: -60.677
flat angles C4'-P-C4' energy: -74.230
flat angles P-C4'-P energy: -37.000
tors. eta vs tors. theta energy: -80.099
Dist. restrs. and SS energy: 5.862 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -896.194237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.194237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.394373 (E_RNA)
where:
Base-Base interactions energy: -629.536
where: short stacking energy: -253.556
Base-Backbone interact. energy: -0.377
local terms energy: -270.481599
where:
bonds (distance) C4'-P energy: -57.588
bonds (distance) P-C4' energy: -46.613
flat angles C4'-P-C4' energy: -61.711
flat angles P-C4'-P energy: -35.087
tors. eta vs tors. theta energy: -69.483
Dist. restrs. and SS energy: 4.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -844.573848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.573848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.800223 (E_RNA)
where:
Base-Base interactions energy: -612.683
where: short stacking energy: -237.212
Base-Backbone interact. energy: -2.424
local terms energy: -233.692859
where:
bonds (distance) C4'-P energy: -48.819
bonds (distance) P-C4' energy: -58.533
flat angles C4'-P-C4' energy: -41.389
flat angles P-C4'-P energy: -37.347
tors. eta vs tors. theta energy: -47.605
Dist. restrs. and SS energy: 4.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -793.729302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.729302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.843152 (E_RNA)
where:
Base-Base interactions energy: -550.539
where: short stacking energy: -215.857
Base-Backbone interact. energy: -0.873
local terms energy: -247.431036
where:
bonds (distance) C4'-P energy: -44.191
bonds (distance) P-C4' energy: -55.083
flat angles C4'-P-C4' energy: -65.833
flat angles P-C4'-P energy: -27.270
tors. eta vs tors. theta energy: -55.055
Dist. restrs. and SS energy: 5.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -1211.654819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.654819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.410324 (E_RNA)
where:
Base-Base interactions energy: -856.387
where: short stacking energy: -355.111
Base-Backbone interact. energy: -0.359
local terms energy: -357.663712
where:
bonds (distance) C4'-P energy: -66.482
bonds (distance) P-C4' energy: -65.572
flat angles C4'-P-C4' energy: -71.976
flat angles P-C4'-P energy: -56.020
tors. eta vs tors. theta energy: -97.615
Dist. restrs. and SS energy: 2.756 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -1191.366091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.366091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.539035 (E_RNA)
where:
Base-Base interactions energy: -838.124
where: short stacking energy: -340.806
Base-Backbone interact. energy: -3.002
local terms energy: -353.413437
where:
bonds (distance) C4'-P energy: -64.491
bonds (distance) P-C4' energy: -60.682
flat angles C4'-P-C4' energy: -80.427
flat angles P-C4'-P energy: -53.017
tors. eta vs tors. theta energy: -94.796
Dist. restrs. and SS energy: 3.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -1132.652733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.652733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.624291 (E_RNA)
where:
Base-Base interactions energy: -773.266
where: short stacking energy: -321.704
Base-Backbone interact. energy: -2.331
local terms energy: -361.027479
where:
bonds (distance) C4'-P energy: -64.175
bonds (distance) P-C4' energy: -76.182
flat angles C4'-P-C4' energy: -76.173
flat angles P-C4'-P energy: -48.754
tors. eta vs tors. theta energy: -95.744
Dist. restrs. and SS energy: 3.972 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -1062.451857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.451857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.700143 (E_RNA)
where:
Base-Base interactions energy: -738.521
where: short stacking energy: -298.725
Base-Backbone interact. energy: -0.505
local terms energy: -326.674105
where:
bonds (distance) C4'-P energy: -65.759
bonds (distance) P-C4' energy: -63.675
flat angles C4'-P-C4' energy: -64.926
flat angles P-C4'-P energy: -45.135
tors. eta vs tors. theta energy: -87.179
Dist. restrs. and SS energy: 3.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -1002.651707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.651707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.253477 (E_RNA)
where:
Base-Base interactions energy: -697.735
where: short stacking energy: -302.740
Base-Backbone interact. energy: -1.244
local terms energy: -308.274523
where:
bonds (distance) C4'-P energy: -62.392
bonds (distance) P-C4' energy: -61.146
flat angles C4'-P-C4' energy: -71.161
flat angles P-C4'-P energy: -44.277
tors. eta vs tors. theta energy: -69.298
Dist. restrs. and SS energy: 4.602 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -1003.930116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.930116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.146119 (E_RNA)
where:
Base-Base interactions energy: -694.944
where: short stacking energy: -271.670
Base-Backbone interact. energy: -1.219
local terms energy: -311.982733
where:
bonds (distance) C4'-P energy: -63.662
bonds (distance) P-C4' energy: -52.917
flat angles C4'-P-C4' energy: -64.429
flat angles P-C4'-P energy: -50.064
tors. eta vs tors. theta energy: -80.910
Dist. restrs. and SS energy: 4.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -945.674971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.674971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.985877 (E_RNA)
where:
Base-Base interactions energy: -661.238
where: short stacking energy: -279.981
Base-Backbone interact. energy: 5.409
local terms energy: -294.157362
where:
bonds (distance) C4'-P energy: -55.083
bonds (distance) P-C4' energy: -65.338
flat angles C4'-P-C4' energy: -72.268
flat angles P-C4'-P energy: -29.927
tors. eta vs tors. theta energy: -71.542
Dist. restrs. and SS energy: 4.311 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -929.903155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.903155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.138867 (E_RNA)
where:
Base-Base interactions energy: -647.233
where: short stacking energy: -252.725
Base-Backbone interact. energy: 1.444
local terms energy: -287.349499
where:
bonds (distance) C4'-P energy: -54.598
bonds (distance) P-C4' energy: -60.122
flat angles C4'-P-C4' energy: -69.983
flat angles P-C4'-P energy: -42.130
tors. eta vs tors. theta energy: -60.517
Dist. restrs. and SS energy: 3.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -851.839526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.839526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.329899 (E_RNA)
where:
Base-Base interactions energy: -599.645
where: short stacking energy: -223.529
Base-Backbone interact. energy: -2.081
local terms energy: -253.603705
where:
bonds (distance) C4'-P energy: -51.992
bonds (distance) P-C4' energy: -56.778
flat angles C4'-P-C4' energy: -61.839
flat angles P-C4'-P energy: -30.922
tors. eta vs tors. theta energy: -52.073
Dist. restrs. and SS energy: 3.490 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -796.344438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.344438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.769569 (E_RNA)
where:
Base-Base interactions energy: -599.360
where: short stacking energy: -226.280
Base-Backbone interact. energy: 0.682
local terms energy: -206.092317
where:
bonds (distance) C4'-P energy: -52.034
bonds (distance) P-C4' energy: -25.683
flat angles C4'-P-C4' energy: -59.111
flat angles P-C4'-P energy: -24.284
tors. eta vs tors. theta energy: -44.980
Dist. restrs. and SS energy: 8.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -1222.459204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.459204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.300475 (E_RNA)
where:
Base-Base interactions energy: -844.476
where: short stacking energy: -361.930
Base-Backbone interact. energy: -1.150
local terms energy: -381.674692
where:
bonds (distance) C4'-P energy: -73.530
bonds (distance) P-C4' energy: -73.821
flat angles C4'-P-C4' energy: -81.067
flat angles P-C4'-P energy: -45.595
tors. eta vs tors. theta energy: -107.662
Dist. restrs. and SS energy: 4.841 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -1188.422254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.422254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.507204 (E_RNA)
where:
Base-Base interactions energy: -832.489
where: short stacking energy: -349.158
Base-Backbone interact. energy: -1.515
local terms energy: -357.503167
where:
bonds (distance) C4'-P energy: -71.253
bonds (distance) P-C4' energy: -66.153
flat angles C4'-P-C4' energy: -72.494
flat angles P-C4'-P energy: -55.667
tors. eta vs tors. theta energy: -91.936
Dist. restrs. and SS energy: 3.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -1104.662282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.662282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.286609 (E_RNA)
where:
Base-Base interactions energy: -761.001
where: short stacking energy: -320.069
Base-Backbone interact. energy: -0.429
local terms energy: -346.856641
where:
bonds (distance) C4'-P energy: -60.089
bonds (distance) P-C4' energy: -65.609
flat angles C4'-P-C4' energy: -73.213
flat angles P-C4'-P energy: -52.589
tors. eta vs tors. theta energy: -95.357
Dist. restrs. and SS energy: 3.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -1047.218128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.218128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.130157 (E_RNA)
where:
Base-Base interactions energy: -725.901
where: short stacking energy: -283.048
Base-Backbone interact. energy: -0.805
local terms energy: -324.423794
where:
bonds (distance) C4'-P energy: -65.775
bonds (distance) P-C4' energy: -54.898
flat angles C4'-P-C4' energy: -68.641
flat angles P-C4'-P energy: -54.841
tors. eta vs tors. theta energy: -80.268
Dist. restrs. and SS energy: 3.912 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -1038.652385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.652385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.565996 (E_RNA)
where:
Base-Base interactions energy: -714.212
where: short stacking energy: -288.554
Base-Backbone interact. energy: -1.989
local terms energy: -325.364722
where:
bonds (distance) C4'-P energy: -63.916
bonds (distance) P-C4' energy: -61.915
flat angles C4'-P-C4' energy: -71.072
flat angles P-C4'-P energy: -48.638
tors. eta vs tors. theta energy: -79.824
Dist. restrs. and SS energy: 2.914 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -984.079254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.079254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.473152 (E_RNA)
where:
Base-Base interactions energy: -690.875
where: short stacking energy: -292.721
Base-Backbone interact. energy: 2.439
local terms energy: -302.037171
where:
bonds (distance) C4'-P energy: -63.418
bonds (distance) P-C4' energy: -63.833
flat angles C4'-P-C4' energy: -53.565
flat angles P-C4'-P energy: -45.112
tors. eta vs tors. theta energy: -76.110
Dist. restrs. and SS energy: 6.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -929.456790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.456790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.329961 (E_RNA)
where:
Base-Base interactions energy: -647.454
where: short stacking energy: -259.014
Base-Backbone interact. energy: -0.127
local terms energy: -290.748941
where:
bonds (distance) C4'-P energy: -64.414
bonds (distance) P-C4' energy: -62.364
flat angles C4'-P-C4' energy: -67.516
flat angles P-C4'-P energy: -34.687
tors. eta vs tors. theta energy: -61.768
Dist. restrs. and SS energy: 8.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -932.601485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.601485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.208650 (E_RNA)
where:
Base-Base interactions energy: -630.741
where: short stacking energy: -252.580
Base-Backbone interact. energy: 1.225
local terms energy: -307.692345
where:
bonds (distance) C4'-P energy: -65.955
bonds (distance) P-C4' energy: -64.908
flat angles C4'-P-C4' energy: -64.618
flat angles P-C4'-P energy: -52.477
tors. eta vs tors. theta energy: -59.735
Dist. restrs. and SS energy: 4.607 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -862.717052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.717052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.798680 (E_RNA)
where:
Base-Base interactions energy: -601.884
where: short stacking energy: -232.929
Base-Backbone interact. energy: 0.734
local terms energy: -269.649008
where:
bonds (distance) C4'-P energy: -57.028
bonds (distance) P-C4' energy: -49.742
flat angles C4'-P-C4' energy: -60.364
flat angles P-C4'-P energy: -44.086
tors. eta vs tors. theta energy: -58.429
Dist. restrs. and SS energy: 8.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -805.572851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.572851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.639933 (E_RNA)
where:
Base-Base interactions energy: -568.756
where: short stacking energy: -211.943
Base-Backbone interact. energy: 5.131
local terms energy: -247.015211
where:
bonds (distance) C4'-P energy: -56.849
bonds (distance) P-C4' energy: -48.996
flat angles C4'-P-C4' energy: -56.131
flat angles P-C4'-P energy: -29.498
tors. eta vs tors. theta energy: -55.541
Dist. restrs. and SS energy: 5.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -1220.440529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.440529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.800384 (E_RNA)
where:
Base-Base interactions energy: -847.870
where: short stacking energy: -344.887
Base-Backbone interact. energy: 3.384
local terms energy: -380.314271
where:
bonds (distance) C4'-P energy: -67.958
bonds (distance) P-C4' energy: -76.142
flat angles C4'-P-C4' energy: -77.576
flat angles P-C4'-P energy: -61.439
tors. eta vs tors. theta energy: -97.199
Dist. restrs. and SS energy: 4.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -1180.837493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.837493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.242933 (E_RNA)
where:
Base-Base interactions energy: -823.288
where: short stacking energy: -335.702
Base-Backbone interact. energy: -2.515
local terms energy: -358.439842
where:
bonds (distance) C4'-P energy: -68.597
bonds (distance) P-C4' energy: -65.654
flat angles C4'-P-C4' energy: -78.587
flat angles P-C4'-P energy: -49.002
tors. eta vs tors. theta energy: -96.601
Dist. restrs. and SS energy: 3.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -1141.350812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.350812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.593458 (E_RNA)
where:
Base-Base interactions energy: -802.821
where: short stacking energy: -315.235
Base-Backbone interact. energy: -3.129
local terms energy: -338.643435
where:
bonds (distance) C4'-P energy: -56.053
bonds (distance) P-C4' energy: -64.185
flat angles C4'-P-C4' energy: -71.538
flat angles P-C4'-P energy: -52.946
tors. eta vs tors. theta energy: -93.922
Dist. restrs. and SS energy: 3.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -1041.703487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.703487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.232169 (E_RNA)
where:
Base-Base interactions energy: -725.258
where: short stacking energy: -296.113
Base-Backbone interact. energy: -0.936
local terms energy: -319.038808
where:
bonds (distance) C4'-P energy: -69.511
bonds (distance) P-C4' energy: -66.233
flat angles C4'-P-C4' energy: -57.960
flat angles P-C4'-P energy: -48.505
tors. eta vs tors. theta energy: -76.829
Dist. restrs. and SS energy: 3.529 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -1032.070867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.070867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.445150 (E_RNA)
where:
Base-Base interactions energy: -724.674
where: short stacking energy: -288.690
Base-Backbone interact. energy: -3.179
local terms energy: -307.592914
where:
bonds (distance) C4'-P energy: -47.310
bonds (distance) P-C4' energy: -60.456
flat angles C4'-P-C4' energy: -63.902
flat angles P-C4'-P energy: -53.118
tors. eta vs tors. theta energy: -82.807
Dist. restrs. and SS energy: 3.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -984.720113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.720113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.490268 (E_RNA)
where:
Base-Base interactions energy: -681.749
where: short stacking energy: -271.192
Base-Backbone interact. energy: -0.972
local terms energy: -306.769869
where:
bonds (distance) C4'-P energy: -59.083
bonds (distance) P-C4' energy: -57.677
flat angles C4'-P-C4' energy: -74.193
flat angles P-C4'-P energy: -43.228
tors. eta vs tors. theta energy: -72.588
Dist. restrs. and SS energy: 4.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -976.401366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.401366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.394323 (E_RNA)
where:
Base-Base interactions energy: -712.247
where: short stacking energy: -289.520
Base-Backbone interact. energy: -0.655
local terms energy: -269.492612
where:
bonds (distance) C4'-P energy: -38.356
bonds (distance) P-C4' energy: -48.078
flat angles C4'-P-C4' energy: -68.225
flat angles P-C4'-P energy: -38.129
tors. eta vs tors. theta energy: -76.704
Dist. restrs. and SS energy: 5.993 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -901.957921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.957921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.584581 (E_RNA)
where:
Base-Base interactions energy: -622.656
where: short stacking energy: -237.083
Base-Backbone interact. energy: 0.109
local terms energy: -289.037478
where:
bonds (distance) C4'-P energy: -60.995
bonds (distance) P-C4' energy: -57.032
flat angles C4'-P-C4' energy: -72.137
flat angles P-C4'-P energy: -41.001
tors. eta vs tors. theta energy: -57.872
Dist. restrs. and SS energy: 9.627 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -841.677607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.677607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.248398 (E_RNA)
where:
Base-Base interactions energy: -581.770
where: short stacking energy: -233.330
Base-Backbone interact. energy: -1.513
local terms energy: -265.965015
where:
bonds (distance) C4'-P energy: -63.611
bonds (distance) P-C4' energy: -55.818
flat angles C4'-P-C4' energy: -58.297
flat angles P-C4'-P energy: -32.110
tors. eta vs tors. theta energy: -56.129
Dist. restrs. and SS energy: 7.571 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -795.638965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.638965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.715599 (E_RNA)
where:
Base-Base interactions energy: -574.245
where: short stacking energy: -229.105
Base-Backbone interact. energy: -2.860
local terms energy: -224.610119
where:
bonds (distance) C4'-P energy: -50.268
bonds (distance) P-C4' energy: -43.755
flat angles C4'-P-C4' energy: -50.440
flat angles P-C4'-P energy: -27.527
tors. eta vs tors. theta energy: -52.621
Dist. restrs. and SS energy: 6.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -1225.277457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.277457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.925092 (E_RNA)
where:
Base-Base interactions energy: -858.903
where: short stacking energy: -345.312
Base-Backbone interact. energy: -0.226
local terms energy: -368.796210
where:
bonds (distance) C4'-P energy: -67.254
bonds (distance) P-C4' energy: -74.715
flat angles C4'-P-C4' energy: -76.213
flat angles P-C4'-P energy: -49.661
tors. eta vs tors. theta energy: -100.954
Dist. restrs. and SS energy: 2.648 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -1186.032151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.032151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.294457 (E_RNA)
where:
Base-Base interactions energy: -838.037
where: short stacking energy: -334.855
Base-Backbone interact. energy: -3.604
local terms energy: -347.653497
where:
bonds (distance) C4'-P energy: -67.501
bonds (distance) P-C4' energy: -68.154
flat angles C4'-P-C4' energy: -69.902
flat angles P-C4'-P energy: -49.620
tors. eta vs tors. theta energy: -92.477
Dist. restrs. and SS energy: 3.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -1143.547441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.547441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.298837 (E_RNA)
where:
Base-Base interactions energy: -797.742
where: short stacking energy: -328.620
Base-Backbone interact. energy: -2.959
local terms energy: -348.598143
where:
bonds (distance) C4'-P energy: -64.076
bonds (distance) P-C4' energy: -58.781
flat angles C4'-P-C4' energy: -72.098
flat angles P-C4'-P energy: -54.397
tors. eta vs tors. theta energy: -99.246
Dist. restrs. and SS energy: 5.751 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -1061.197978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.197978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.676676 (E_RNA)
where:
Base-Base interactions energy: -735.461
where: short stacking energy: -290.898
Base-Backbone interact. energy: -2.635
local terms energy: -327.580424
where:
bonds (distance) C4'-P energy: -66.381
bonds (distance) P-C4' energy: -69.679
flat angles C4'-P-C4' energy: -61.199
flat angles P-C4'-P energy: -47.821
tors. eta vs tors. theta energy: -82.500
Dist. restrs. and SS energy: 4.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -1021.675384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.675384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.073817 (E_RNA)
where:
Base-Base interactions energy: -719.838
where: short stacking energy: -277.720
Base-Backbone interact. energy: 1.945
local terms energy: -307.180657
where:
bonds (distance) C4'-P energy: -59.449
bonds (distance) P-C4' energy: -61.026
flat angles C4'-P-C4' energy: -73.059
flat angles P-C4'-P energy: -34.681
tors. eta vs tors. theta energy: -78.965
Dist. restrs. and SS energy: 3.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -980.339878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.339878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.966641 (E_RNA)
where:
Base-Base interactions energy: -681.675
where: short stacking energy: -269.904
Base-Backbone interact. energy: 0.361
local terms energy: -302.652584
where:
bonds (distance) C4'-P energy: -51.090
bonds (distance) P-C4' energy: -63.044
flat angles C4'-P-C4' energy: -72.767
flat angles P-C4'-P energy: -45.535
tors. eta vs tors. theta energy: -70.217
Dist. restrs. and SS energy: 3.627 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -962.920321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.920321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.563884 (E_RNA)
where:
Base-Base interactions energy: -687.805
where: short stacking energy: -271.752
Base-Backbone interact. energy: -1.859
local terms energy: -277.899881
where:
bonds (distance) C4'-P energy: -46.286
bonds (distance) P-C4' energy: -57.878
flat angles C4'-P-C4' energy: -69.007
flat angles P-C4'-P energy: -42.202
tors. eta vs tors. theta energy: -62.527
Dist. restrs. and SS energy: 4.644 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -867.264134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.264134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.220279 (E_RNA)
where:
Base-Base interactions energy: -629.359
where: short stacking energy: -226.266
Base-Backbone interact. energy: -0.125
local terms energy: -244.736179
where:
bonds (distance) C4'-P energy: -46.214
bonds (distance) P-C4' energy: -52.318
flat angles C4'-P-C4' energy: -64.894
flat angles P-C4'-P energy: -32.923
tors. eta vs tors. theta energy: -48.387
Dist. restrs. and SS energy: 6.956 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -826.950616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.950616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.236711 (E_RNA)
where:
Base-Base interactions energy: -585.828
where: short stacking energy: -230.019
Base-Backbone interact. energy: 5.823
local terms energy: -253.231632
where:
bonds (distance) C4'-P energy: -53.687
bonds (distance) P-C4' energy: -55.278
flat angles C4'-P-C4' energy: -66.112
flat angles P-C4'-P energy: -31.520
tors. eta vs tors. theta energy: -46.636
Dist. restrs. and SS energy: 6.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -810.936129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.936129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.262370 (E_RNA)
where:
Base-Base interactions energy: -571.883
where: short stacking energy: -216.227
Base-Backbone interact. energy: -2.164
local terms energy: -244.215571
where:
bonds (distance) C4'-P energy: -60.243
bonds (distance) P-C4' energy: -43.739
flat angles C4'-P-C4' energy: -56.747
flat angles P-C4'-P energy: -37.984
tors. eta vs tors. theta energy: -45.503
Dist. restrs. and SS energy: 7.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -1213.163291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.163291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.914963 (E_RNA)
where:
Base-Base interactions energy: -850.366
where: short stacking energy: -356.766
Base-Backbone interact. energy: -1.734
local terms energy: -364.815566
where:
bonds (distance) C4'-P energy: -69.020
bonds (distance) P-C4' energy: -55.716
flat angles C4'-P-C4' energy: -83.465
flat angles P-C4'-P energy: -53.444
tors. eta vs tors. theta energy: -103.171
Dist. restrs. and SS energy: 3.752 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -1160.694338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.694338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.413145 (E_RNA)
where:
Base-Base interactions energy: -831.617
where: short stacking energy: -320.985
Base-Backbone interact. energy: -2.327
local terms energy: -330.468990
where:
bonds (distance) C4'-P energy: -60.053
bonds (distance) P-C4' energy: -69.456
flat angles C4'-P-C4' energy: -64.268
flat angles P-C4'-P energy: -50.393
tors. eta vs tors. theta energy: -86.300
Dist. restrs. and SS energy: 3.719 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -1127.423661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.423661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.245116 (E_RNA)
where:
Base-Base interactions energy: -789.926
where: short stacking energy: -329.447
Base-Backbone interact. energy: -0.821
local terms energy: -344.498134
where:
bonds (distance) C4'-P energy: -56.174
bonds (distance) P-C4' energy: -71.768
flat angles C4'-P-C4' energy: -77.900
flat angles P-C4'-P energy: -49.727
tors. eta vs tors. theta energy: -88.929
Dist. restrs. and SS energy: 7.821 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -1083.841988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.841988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.615541 (E_RNA)
where:
Base-Base interactions energy: -757.174
where: short stacking energy: -329.836
Base-Backbone interact. energy: -1.746
local terms energy: -328.695518
where:
bonds (distance) C4'-P energy: -61.149
bonds (distance) P-C4' energy: -53.076
flat angles C4'-P-C4' energy: -79.452
flat angles P-C4'-P energy: -44.260
tors. eta vs tors. theta energy: -90.759
Dist. restrs. and SS energy: 3.774 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -1038.755996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.755996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.835403 (E_RNA)
where:
Base-Base interactions energy: -735.591
where: short stacking energy: -308.845
Base-Backbone interact. energy: -2.591
local terms energy: -303.653074
where:
bonds (distance) C4'-P energy: -51.919
bonds (distance) P-C4' energy: -65.212
flat angles C4'-P-C4' energy: -67.790
flat angles P-C4'-P energy: -39.571
tors. eta vs tors. theta energy: -79.160
Dist. restrs. and SS energy: 3.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -1013.007528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.007528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.759104 (E_RNA)
where:
Base-Base interactions energy: -719.138
where: short stacking energy: -274.925
Base-Backbone interact. energy: 0.494
local terms energy: -298.115657
where:
bonds (distance) C4'-P energy: -53.770
bonds (distance) P-C4' energy: -62.287
flat angles C4'-P-C4' energy: -61.933
flat angles P-C4'-P energy: -42.265
tors. eta vs tors. theta energy: -77.861
Dist. restrs. and SS energy: 3.752 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -940.149622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.149622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.688477 (E_RNA)
where:
Base-Base interactions energy: -664.295
where: short stacking energy: -268.785
Base-Backbone interact. energy: -0.111
local terms energy: -281.282893
where:
bonds (distance) C4'-P energy: -60.013
bonds (distance) P-C4' energy: -49.886
flat angles C4'-P-C4' energy: -67.048
flat angles P-C4'-P energy: -41.743
tors. eta vs tors. theta energy: -62.593
Dist. restrs. and SS energy: 5.539 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -864.799607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.799607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.884630 (E_RNA)
where:
Base-Base interactions energy: -597.441
where: short stacking energy: -234.256
Base-Backbone interact. energy: -2.500
local terms energy: -268.943602
where:
bonds (distance) C4'-P energy: -62.117
bonds (distance) P-C4' energy: -50.235
flat angles C4'-P-C4' energy: -62.364
flat angles P-C4'-P energy: -37.159
tors. eta vs tors. theta energy: -57.068
Dist. restrs. and SS energy: 4.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -833.399977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.399977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.415807 (E_RNA)
where:
Base-Base interactions energy: -596.502
where: short stacking energy: -224.413
Base-Backbone interact. energy: 0.903
local terms energy: -241.816399
where:
bonds (distance) C4'-P energy: -39.920
bonds (distance) P-C4' energy: -57.042
flat angles C4'-P-C4' energy: -65.815
flat angles P-C4'-P energy: -22.611
tors. eta vs tors. theta energy: -56.428
Dist. restrs. and SS energy: 4.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -814.139460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.139460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.250242 (E_RNA)
where:
Base-Base interactions energy: -583.302
where: short stacking energy: -227.533
Base-Backbone interact. energy: 0.146
local terms energy: -241.094492
where:
bonds (distance) C4'-P energy: -56.346
bonds (distance) P-C4' energy: -45.833
flat angles C4'-P-C4' energy: -58.547
flat angles P-C4'-P energy: -36.588
tors. eta vs tors. theta energy: -43.781
Dist. restrs. and SS energy: 10.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -1232.682236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.682236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.940975 (E_RNA)
where:
Base-Base interactions energy: -861.167
where: short stacking energy: -347.800
Base-Backbone interact. energy: -1.635
local terms energy: -373.139629
where:
bonds (distance) C4'-P energy: -70.246
bonds (distance) P-C4' energy: -69.605
flat angles C4'-P-C4' energy: -63.714
flat angles P-C4'-P energy: -61.698
tors. eta vs tors. theta energy: -107.876
Dist. restrs. and SS energy: 3.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -1182.975808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.975808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.853293 (E_RNA)
where:
Base-Base interactions energy: -842.408
where: short stacking energy: -324.527
Base-Backbone interact. energy: -3.231
local terms energy: -340.214078
where:
bonds (distance) C4'-P energy: -51.955
bonds (distance) P-C4' energy: -76.137
flat angles C4'-P-C4' energy: -71.206
flat angles P-C4'-P energy: -50.691
tors. eta vs tors. theta energy: -90.225
Dist. restrs. and SS energy: 2.877 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -1124.602115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.602115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.975670 (E_RNA)
where:
Base-Base interactions energy: -803.322
where: short stacking energy: -324.757
Base-Backbone interact. energy: -0.651
local terms energy: -324.002687
where:
bonds (distance) C4'-P energy: -61.062
bonds (distance) P-C4' energy: -64.070
flat angles C4'-P-C4' energy: -64.781
flat angles P-C4'-P energy: -40.811
tors. eta vs tors. theta energy: -93.279
Dist. restrs. and SS energy: 3.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -1049.066234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.066234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.601590 (E_RNA)
where:
Base-Base interactions energy: -729.161
where: short stacking energy: -287.546
Base-Backbone interact. energy: -0.079
local terms energy: -323.361181
where:
bonds (distance) C4'-P energy: -58.606
bonds (distance) P-C4' energy: -55.840
flat angles C4'-P-C4' energy: -74.482
flat angles P-C4'-P energy: -58.655
tors. eta vs tors. theta energy: -75.778
Dist. restrs. and SS energy: 3.535 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -1065.470278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.470278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.817518 (E_RNA)
where:
Base-Base interactions energy: -734.916
where: short stacking energy: -310.827
Base-Backbone interact. energy: -1.893
local terms energy: -332.009130
where:
bonds (distance) C4'-P energy: -64.202
bonds (distance) P-C4' energy: -63.937
flat angles C4'-P-C4' energy: -73.943
flat angles P-C4'-P energy: -41.489
tors. eta vs tors. theta energy: -88.438
Dist. restrs. and SS energy: 3.347 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -988.217490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.217490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.697302 (E_RNA)
where:
Base-Base interactions energy: -671.927
where: short stacking energy: -279.616
Base-Backbone interact. energy: -0.222
local terms energy: -319.548559
where:
bonds (distance) C4'-P energy: -60.459
bonds (distance) P-C4' energy: -62.985
flat angles C4'-P-C4' energy: -71.463
flat angles P-C4'-P energy: -47.323
tors. eta vs tors. theta energy: -77.319
Dist. restrs. and SS energy: 3.480 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -926.922815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.922815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.520057 (E_RNA)
where:
Base-Base interactions energy: -674.805
where: short stacking energy: -256.796
Base-Backbone interact. energy: -1.010
local terms energy: -255.705278
where:
bonds (distance) C4'-P energy: -56.538
bonds (distance) P-C4' energy: -51.050
flat angles C4'-P-C4' energy: -54.012
flat angles P-C4'-P energy: -35.650
tors. eta vs tors. theta energy: -58.455
Dist. restrs. and SS energy: 4.597 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -863.928623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.928623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.794954 (E_RNA)
where:
Base-Base interactions energy: -609.685
where: short stacking energy: -236.505
Base-Backbone interact. energy: -1.153
local terms energy: -260.956655
where:
bonds (distance) C4'-P energy: -50.050
bonds (distance) P-C4' energy: -54.111
flat angles C4'-P-C4' energy: -61.317
flat angles P-C4'-P energy: -33.686
tors. eta vs tors. theta energy: -61.793
Dist. restrs. and SS energy: 7.866 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -859.701288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.701288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.709839 (E_RNA)
where:
Base-Base interactions energy: -612.290
where: short stacking energy: -244.098
Base-Backbone interact. energy: -1.873
local terms energy: -252.546842
where:
bonds (distance) C4'-P energy: -49.064
bonds (distance) P-C4' energy: -53.948
flat angles C4'-P-C4' energy: -56.855
flat angles P-C4'-P energy: -39.265
tors. eta vs tors. theta energy: -53.415
Dist. restrs. and SS energy: 7.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -797.093275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.093275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.707266 (E_RNA)
where:
Base-Base interactions energy: -569.178
where: short stacking energy: -207.754
Base-Backbone interact. energy: -0.614
local terms energy: -232.915124
where:
bonds (distance) C4'-P energy: -49.872
bonds (distance) P-C4' energy: -59.313
flat angles C4'-P-C4' energy: -56.853
flat angles P-C4'-P energy: -31.412
tors. eta vs tors. theta energy: -35.465
Dist. restrs. and SS energy: 5.614 (S_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: 148
Temperature: 0.900000
Total energy: -1211.085275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.085275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.044740 (E_RNA)
where:
Base-Base interactions energy: -845.970
where: short stacking energy: -350.095
Base-Backbone interact. energy: -0.186
local terms energy: -367.888412
where:
bonds (distance) C4'-P energy: -70.353
bonds (distance) P-C4' energy: -69.554
flat angles C4'-P-C4' energy: -75.983
flat angles P-C4'-P energy: -55.960
tors. eta vs tors. theta energy: -96.038
Dist. restrs. and SS energy: 2.959 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -1193.544039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.544039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.256535 (E_RNA)
where:
Base-Base interactions energy: -840.959
where: short stacking energy: -326.816
Base-Backbone interact. energy: -2.293
local terms energy: -353.004608
where:
bonds (distance) C4'-P energy: -66.393
bonds (distance) P-C4' energy: -62.874
flat angles C4'-P-C4' energy: -72.675
flat angles P-C4'-P energy: -57.123
tors. eta vs tors. theta energy: -93.940
Dist. restrs. and SS energy: 2.712 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -1135.592618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.592618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.497562 (E_RNA)
where:
Base-Base interactions energy: -780.434
where: short stacking energy: -328.381
Base-Backbone interact. energy: -4.109
local terms energy: -354.955297
where:
bonds (distance) C4'-P energy: -62.310
bonds (distance) P-C4' energy: -70.279
flat angles C4'-P-C4' energy: -68.712
flat angles P-C4'-P energy: -56.301
tors. eta vs tors. theta energy: -97.354
Dist. restrs. and SS energy: 3.905 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -1056.210366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.210366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.424138 (E_RNA)
where:
Base-Base interactions energy: -741.216
where: short stacking energy: -287.237
Base-Backbone interact. energy: -2.991
local terms energy: -315.217134
where:
bonds (distance) C4'-P energy: -65.032
bonds (distance) P-C4' energy: -68.994
flat angles C4'-P-C4' energy: -71.053
flat angles P-C4'-P energy: -49.258
tors. eta vs tors. theta energy: -60.880
Dist. restrs. and SS energy: 3.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -1080.845009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.845009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.289424 (E_RNA)
where:
Base-Base interactions energy: -748.332
where: short stacking energy: -303.213
Base-Backbone interact. energy: -2.174
local terms energy: -333.783322
where:
bonds (distance) C4'-P energy: -61.184
bonds (distance) P-C4' energy: -61.761
flat angles C4'-P-C4' energy: -69.821
flat angles P-C4'-P energy: -53.702
tors. eta vs tors. theta energy: -87.316
Dist. restrs. and SS energy: 3.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -1020.336809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.336809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.178254 (E_RNA)
where:
Base-Base interactions energy: -709.572
where: short stacking energy: -281.400
Base-Backbone interact. energy: -0.005
local terms energy: -316.601377
where:
bonds (distance) C4'-P energy: -59.118
bonds (distance) P-C4' energy: -64.349
flat angles C4'-P-C4' energy: -64.650
flat angles P-C4'-P energy: -46.343
tors. eta vs tors. theta energy: -82.142
Dist. restrs. and SS energy: 5.841 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -939.820014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.820014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.589159 (E_RNA)
where:
Base-Base interactions energy: -656.601
where: short stacking energy: -263.665
Base-Backbone interact. energy: -0.799
local terms energy: -286.189029
where:
bonds (distance) C4'-P energy: -51.101
bonds (distance) P-C4' energy: -56.344
flat angles C4'-P-C4' energy: -68.085
flat angles P-C4'-P energy: -49.984
tors. eta vs tors. theta energy: -60.676
Dist. restrs. and SS energy: 3.769 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -874.199913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.199913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.593006 (E_RNA)
where:
Base-Base interactions energy: -587.376
where: short stacking energy: -228.072
Base-Backbone interact. energy: -2.200
local terms energy: -292.016976
where:
bonds (distance) C4'-P energy: -62.887
bonds (distance) P-C4' energy: -62.558
flat angles C4'-P-C4' energy: -68.407
flat angles P-C4'-P energy: -42.388
tors. eta vs tors. theta energy: -55.777
Dist. restrs. and SS energy: 7.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -852.657724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.657724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.846196 (E_RNA)
where:
Base-Base interactions energy: -614.858
where: short stacking energy: -255.672
Base-Backbone interact. energy: -0.637
local terms energy: -243.351596
where:
bonds (distance) C4'-P energy: -48.559
bonds (distance) P-C4' energy: -50.305
flat angles C4'-P-C4' energy: -52.084
flat angles P-C4'-P energy: -34.859
tors. eta vs tors. theta energy: -57.546
Dist. restrs. and SS energy: 6.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -847.612737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.612737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.727224 (E_RNA)
where:
Base-Base interactions energy: -586.883
where: short stacking energy: -228.361
Base-Backbone interact. energy: 0.211
local terms energy: -269.055444
where:
bonds (distance) C4'-P energy: -60.133
bonds (distance) P-C4' energy: -61.837
flat angles C4'-P-C4' energy: -65.017
flat angles P-C4'-P energy: -39.234
tors. eta vs tors. theta energy: -42.835
Dist. restrs. and SS energy: 8.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -1234.342517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.342517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.998764 (E_RNA)
where:
Base-Base interactions energy: -864.099
where: short stacking energy: -364.110
Base-Backbone interact. energy: -2.794
local terms energy: -370.106136
where:
bonds (distance) C4'-P energy: -69.205
bonds (distance) P-C4' energy: -63.586
flat angles C4'-P-C4' energy: -75.942
flat angles P-C4'-P energy: -54.264
tors. eta vs tors. theta energy: -107.109
Dist. restrs. and SS energy: 2.656 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -1201.424338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.424338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.289001 (E_RNA)
where:
Base-Base interactions energy: -855.009
where: short stacking energy: -335.912
Base-Backbone interact. energy: -3.934
local terms energy: -345.345563
where:
bonds (distance) C4'-P energy: -63.254
bonds (distance) P-C4' energy: -68.742
flat angles C4'-P-C4' energy: -76.113
flat angles P-C4'-P energy: -42.926
tors. eta vs tors. theta energy: -94.310
Dist. restrs. and SS energy: 2.865 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -1141.618707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.618707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.967597 (E_RNA)
where:
Base-Base interactions energy: -814.084
where: short stacking energy: -330.732
Base-Backbone interact. energy: -2.132
local terms energy: -328.751031
where:
bonds (distance) C4'-P energy: -57.555
bonds (distance) P-C4' energy: -62.638
flat angles C4'-P-C4' energy: -63.813
flat angles P-C4'-P energy: -43.949
tors. eta vs tors. theta energy: -100.797
Dist. restrs. and SS energy: 3.349 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -1075.844237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.844237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.001799 (E_RNA)
where:
Base-Base interactions energy: -739.804
where: short stacking energy: -302.169
Base-Backbone interact. energy: -2.029
local terms energy: -337.169088
where:
bonds (distance) C4'-P energy: -58.636
bonds (distance) P-C4' energy: -66.601
flat angles C4'-P-C4' energy: -68.673
flat angles P-C4'-P energy: -53.142
tors. eta vs tors. theta energy: -90.117
Dist. restrs. and SS energy: 3.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -1016.428673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.428673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.656538 (E_RNA)
where:
Base-Base interactions energy: -706.157
where: short stacking energy: -290.773
Base-Backbone interact. energy: -0.828
local terms energy: -312.671817
where:
bonds (distance) C4'-P energy: -64.559
bonds (distance) P-C4' energy: -59.575
flat angles C4'-P-C4' energy: -68.409
flat angles P-C4'-P energy: -51.837
tors. eta vs tors. theta energy: -68.291
Dist. restrs. and SS energy: 3.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -989.251401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.251401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.414798 (E_RNA)
where:
Base-Base interactions energy: -669.279
where: short stacking energy: -269.062
Base-Backbone interact. energy: -1.900
local terms energy: -324.236201
where:
bonds (distance) C4'-P energy: -68.612
bonds (distance) P-C4' energy: -64.459
flat angles C4'-P-C4' energy: -77.975
flat angles P-C4'-P energy: -40.442
tors. eta vs tors. theta energy: -72.749
Dist. restrs. and SS energy: 6.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -946.244144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.244144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.088801 (E_RNA)
where:
Base-Base interactions energy: -684.048
where: short stacking energy: -267.304
Base-Backbone interact. energy: -0.539
local terms energy: -264.501946
where:
bonds (distance) C4'-P energy: -57.145
bonds (distance) P-C4' energy: -52.040
flat angles C4'-P-C4' energy: -62.400
flat angles P-C4'-P energy: -30.352
tors. eta vs tors. theta energy: -62.565
Dist. restrs. and SS energy: 2.845 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -893.234382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.234382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.679423 (E_RNA)
where:
Base-Base interactions energy: -627.525
where: short stacking energy: -252.454
Base-Backbone interact. energy: -1.435
local terms energy: -269.719412
where:
bonds (distance) C4'-P energy: -59.493
bonds (distance) P-C4' energy: -54.573
flat angles C4'-P-C4' energy: -62.140
flat angles P-C4'-P energy: -35.431
tors. eta vs tors. theta energy: -58.082
Dist. restrs. and SS energy: 5.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -848.418607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.418607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.904372 (E_RNA)
where:
Base-Base interactions energy: -588.273
where: short stacking energy: -218.272
Base-Backbone interact. energy: -2.720
local terms energy: -265.911509
where:
bonds (distance) C4'-P energy: -38.068
bonds (distance) P-C4' energy: -58.349
flat angles C4'-P-C4' energy: -70.133
flat angles P-C4'-P energy: -41.254
tors. eta vs tors. theta energy: -58.107
Dist. restrs. and SS energy: 8.486 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -830.090081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.090081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.658388 (E_RNA)
where:
Base-Base interactions energy: -591.991
where: short stacking energy: -228.969
Base-Backbone interact. energy: 0.301
local terms energy: -252.968251
where:
bonds (distance) C4'-P energy: -56.102
bonds (distance) P-C4' energy: -56.925
flat angles C4'-P-C4' energy: -53.695
flat angles P-C4'-P energy: -38.029
tors. eta vs tors. theta energy: -48.217
Dist. restrs. and SS energy: 14.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -1214.600616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.600616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.074355 (E_RNA)
where:
Base-Base interactions energy: -842.151
where: short stacking energy: -349.556
Base-Backbone interact. energy: -1.933
local terms energy: -372.990608
where:
bonds (distance) C4'-P energy: -76.233
bonds (distance) P-C4' energy: -72.867
flat angles C4'-P-C4' energy: -69.149
flat angles P-C4'-P energy: -54.159
tors. eta vs tors. theta energy: -100.583
Dist. restrs. and SS energy: 2.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -1187.383115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.383115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.865428 (E_RNA)
where:
Base-Base interactions energy: -833.932
where: short stacking energy: -338.381
Base-Backbone interact. energy: -2.936
local terms energy: -353.997248
where:
bonds (distance) C4'-P energy: -65.340
bonds (distance) P-C4' energy: -66.885
flat angles C4'-P-C4' energy: -73.790
flat angles P-C4'-P energy: -48.823
tors. eta vs tors. theta energy: -99.159
Dist. restrs. and SS energy: 3.482 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -1121.659819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.659819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.106631 (E_RNA)
where:
Base-Base interactions energy: -787.299
where: short stacking energy: -331.420
Base-Backbone interact. energy: -0.942
local terms energy: -336.865482
where:
bonds (distance) C4'-P energy: -66.300
bonds (distance) P-C4' energy: -63.064
flat angles C4'-P-C4' energy: -59.339
flat angles P-C4'-P energy: -49.898
tors. eta vs tors. theta energy: -98.263
Dist. restrs. and SS energy: 3.447 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -1061.725238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.725238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.922412 (E_RNA)
where:
Base-Base interactions energy: -728.708
where: short stacking energy: -303.421
Base-Backbone interact. energy: -1.718
local terms energy: -338.496148
where:
bonds (distance) C4'-P energy: -69.720
bonds (distance) P-C4' energy: -64.241
flat angles C4'-P-C4' energy: -65.096
flat angles P-C4'-P energy: -52.960
tors. eta vs tors. theta energy: -86.480
Dist. restrs. and SS energy: 7.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -1034.141781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.141781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.157166 (E_RNA)
where:
Base-Base interactions energy: -716.613
where: short stacking energy: -304.078
Base-Backbone interact. energy: -0.486
local terms energy: -327.058832
where:
bonds (distance) C4'-P energy: -54.774
bonds (distance) P-C4' energy: -67.289
flat angles C4'-P-C4' energy: -75.201
flat angles P-C4'-P energy: -45.260
tors. eta vs tors. theta energy: -84.534
Dist. restrs. and SS energy: 10.015 (S_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: 150
Temperature: 1.150000
Total energy: -980.959365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.959365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.513857 (E_RNA)
where:
Base-Base interactions energy: -669.731
where: short stacking energy: -269.310
Base-Backbone interact. energy: -2.317
local terms energy: -312.465960
where:
bonds (distance) C4'-P energy: -64.843
bonds (distance) P-C4' energy: -60.676
flat angles C4'-P-C4' energy: -70.358
flat angles P-C4'-P energy: -40.094
tors. eta vs tors. theta energy: -76.495
Dist. restrs. and SS energy: 3.554 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -942.631876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.631876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.156455 (E_RNA)
where:
Base-Base interactions energy: -662.568
where: short stacking energy: -263.196
Base-Backbone interact. energy: -1.879
local terms energy: -282.709339
where:
bonds (distance) C4'-P energy: -53.668
bonds (distance) P-C4' energy: -62.642
flat angles C4'-P-C4' energy: -58.140
flat angles P-C4'-P energy: -43.256
tors. eta vs tors. theta energy: -65.003
Dist. restrs. and SS energy: 4.525 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -900.578509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.578509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.016367 (E_RNA)
where:
Base-Base interactions energy: -635.467
where: short stacking energy: -243.051
Base-Backbone interact. energy: -2.034
local terms energy: -271.516037
where:
bonds (distance) C4'-P energy: -44.201
bonds (distance) P-C4' energy: -61.706
flat angles C4'-P-C4' energy: -55.466
flat angles P-C4'-P energy: -47.075
tors. eta vs tors. theta energy: -63.068
Dist. restrs. and SS energy: 8.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -827.377430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.377430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.671403 (E_RNA)
where:
Base-Base interactions energy: -578.258
where: short stacking energy: -210.995
Base-Backbone interact. energy: -1.350
local terms energy: -259.062961
where:
bonds (distance) C4'-P energy: -60.042
bonds (distance) P-C4' energy: -47.005
flat angles C4'-P-C4' energy: -58.700
flat angles P-C4'-P energy: -36.965
tors. eta vs tors. theta energy: -56.350
Dist. restrs. and SS energy: 11.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -798.444756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.444756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.262381 (E_RNA)
where:
Base-Base interactions energy: -575.453
where: short stacking energy: -224.386
Base-Backbone interact. energy: -0.865
local terms energy: -235.944768
where:
bonds (distance) C4'-P energy: -45.454
bonds (distance) P-C4' energy: -42.264
flat angles C4'-P-C4' energy: -50.784
flat angles P-C4'-P energy: -36.326
tors. eta vs tors. theta energy: -61.118
Dist. restrs. and SS energy: 13.818 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -1210.236837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.236837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.984961 (E_RNA)
where:
Base-Base interactions energy: -840.209
where: short stacking energy: -349.145
Base-Backbone interact. energy: -3.531
local terms energy: -369.245419
where:
bonds (distance) C4'-P energy: -67.285
bonds (distance) P-C4' energy: -75.950
flat angles C4'-P-C4' energy: -73.401
flat angles P-C4'-P energy: -56.328
tors. eta vs tors. theta energy: -96.281
Dist. restrs. and SS energy: 2.748 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -1173.521611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.521611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.800643 (E_RNA)
where:
Base-Base interactions energy: -835.596
where: short stacking energy: -320.026
Base-Backbone interact. energy: -1.890
local terms energy: -339.313902
where:
bonds (distance) C4'-P energy: -60.563
bonds (distance) P-C4' energy: -55.277
flat angles C4'-P-C4' energy: -78.819
flat angles P-C4'-P energy: -59.129
tors. eta vs tors. theta energy: -85.526
Dist. restrs. and SS energy: 3.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -1148.173318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.173318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.213603 (E_RNA)
where:
Base-Base interactions energy: -788.948
where: short stacking energy: -336.001
Base-Backbone interact. energy: -0.374
local terms energy: -361.891428
where:
bonds (distance) C4'-P energy: -69.044
bonds (distance) P-C4' energy: -66.033
flat angles C4'-P-C4' energy: -71.022
flat angles P-C4'-P energy: -49.378
tors. eta vs tors. theta energy: -106.415
Dist. restrs. and SS energy: 3.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -1050.250360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.250360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.345774 (E_RNA)
where:
Base-Base interactions energy: -729.367
where: short stacking energy: -311.461
Base-Backbone interact. energy: 4.388
local terms energy: -328.366253
where:
bonds (distance) C4'-P energy: -53.094
bonds (distance) P-C4' energy: -61.350
flat angles C4'-P-C4' energy: -68.194
flat angles P-C4'-P energy: -56.939
tors. eta vs tors. theta energy: -88.789
Dist. restrs. and SS energy: 3.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -1061.769849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.769849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.451850 (E_RNA)
where:
Base-Base interactions energy: -718.945
where: short stacking energy: -299.638
Base-Backbone interact. energy: -2.839
local terms energy: -348.667504
where:
bonds (distance) C4'-P energy: -70.264
bonds (distance) P-C4' energy: -61.427
flat angles C4'-P-C4' energy: -72.900
flat angles P-C4'-P energy: -51.751
tors. eta vs tors. theta energy: -92.326
Dist. restrs. and SS energy: 8.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -968.161484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.161484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.901409 (E_RNA)
where:
Base-Base interactions energy: -658.950
where: short stacking energy: -251.082
Base-Backbone interact. energy: -1.102
local terms energy: -311.849274
where:
bonds (distance) C4'-P energy: -63.239
bonds (distance) P-C4' energy: -68.297
flat angles C4'-P-C4' energy: -68.150
flat angles P-C4'-P energy: -54.045
tors. eta vs tors. theta energy: -58.118
Dist. restrs. and SS energy: 3.740 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -905.410226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.410226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.639957 (E_RNA)
where:
Base-Base interactions energy: -649.033
where: short stacking energy: -268.613
Base-Backbone interact. energy: -0.619
local terms energy: -260.987825
where:
bonds (distance) C4'-P energy: -53.048
bonds (distance) P-C4' energy: -60.560
flat angles C4'-P-C4' energy: -61.273
flat angles P-C4'-P energy: -24.824
tors. eta vs tors. theta energy: -61.282
Dist. restrs. and SS energy: 5.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -876.817016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.817016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.939209 (E_RNA)
where:
Base-Base interactions energy: -610.472
where: short stacking energy: -220.616
Base-Backbone interact. energy: 0.424
local terms energy: -272.891652
where:
bonds (distance) C4'-P energy: -60.061
bonds (distance) P-C4' energy: -63.737
flat angles C4'-P-C4' energy: -63.255
flat angles P-C4'-P energy: -38.532
tors. eta vs tors. theta energy: -47.306
Dist. restrs. and SS energy: 6.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -865.924874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.924874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.013166 (E_RNA)
where:
Base-Base interactions energy: -602.542
where: short stacking energy: -241.326
Base-Backbone interact. energy: -0.295
local terms energy: -267.175214
where:
bonds (distance) C4'-P energy: -53.168
bonds (distance) P-C4' energy: -60.071
flat angles C4'-P-C4' energy: -60.520
flat angles P-C4'-P energy: -39.603
tors. eta vs tors. theta energy: -53.813
Dist. restrs. and SS energy: 4.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -835.253699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.253699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.383678 (E_RNA)
where:
Base-Base interactions energy: -599.106
where: short stacking energy: -226.624
Base-Backbone interact. energy: -2.067
local terms energy: -240.209732
where:
bonds (distance) C4'-P energy: -47.354
bonds (distance) P-C4' energy: -56.744
flat angles C4'-P-C4' energy: -56.295
flat angles P-C4'-P energy: -27.865
tors. eta vs tors. theta energy: -51.951
Dist. restrs. and SS energy: 6.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -1239.007496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.007496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.372594 (E_RNA)
where:
Base-Base interactions energy: -862.495
where: short stacking energy: -362.012
Base-Backbone interact. energy: 0.564
local terms energy: -380.442129
where:
bonds (distance) C4'-P energy: -63.668
bonds (distance) P-C4' energy: -82.520
flat angles C4'-P-C4' energy: -74.384
flat angles P-C4'-P energy: -55.602
tors. eta vs tors. theta energy: -104.268
Dist. restrs. and SS energy: 3.365 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -1170.080437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.080437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.597461 (E_RNA)
where:
Base-Base interactions energy: -834.432
where: short stacking energy: -303.984
Base-Backbone interact. energy: 1.721
local terms energy: -339.886854
where:
bonds (distance) C4'-P energy: -69.553
bonds (distance) P-C4' energy: -65.392
flat angles C4'-P-C4' energy: -69.819
flat angles P-C4'-P energy: -50.482
tors. eta vs tors. theta energy: -84.640
Dist. restrs. and SS energy: 2.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -1104.140685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.140685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.336529 (E_RNA)
where:
Base-Base interactions energy: -764.513
where: short stacking energy: -308.776
Base-Backbone interact. energy: -2.011
local terms energy: -340.811925
where:
bonds (distance) C4'-P energy: -63.606
bonds (distance) P-C4' energy: -65.601
flat angles C4'-P-C4' energy: -73.384
flat angles P-C4'-P energy: -52.198
tors. eta vs tors. theta energy: -86.024
Dist. restrs. and SS energy: 3.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -1067.448963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.448963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.199104 (E_RNA)
where:
Base-Base interactions energy: -745.035
where: short stacking energy: -304.711
Base-Backbone interact. energy: -0.825
local terms energy: -326.339146
where:
bonds (distance) C4'-P energy: -62.057
bonds (distance) P-C4' energy: -63.106
flat angles C4'-P-C4' energy: -61.637
flat angles P-C4'-P energy: -48.550
tors. eta vs tors. theta energy: -90.989
Dist. restrs. and SS energy: 4.750 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -1029.343459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.343459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.351271 (E_RNA)
where:
Base-Base interactions energy: -703.305
where: short stacking energy: -292.994
Base-Backbone interact. energy: -3.448
local terms energy: -326.597904
where:
bonds (distance) C4'-P energy: -50.835
bonds (distance) P-C4' energy: -66.850
flat angles C4'-P-C4' energy: -72.038
flat angles P-C4'-P energy: -53.326
tors. eta vs tors. theta energy: -83.549
Dist. restrs. and SS energy: 4.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -981.720384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.720384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.126609 (E_RNA)
where:
Base-Base interactions energy: -705.503
where: short stacking energy: -288.980
Base-Backbone interact. energy: -2.795
local terms energy: -276.828146
where:
bonds (distance) C4'-P energy: -58.264
bonds (distance) P-C4' energy: -55.510
flat angles C4'-P-C4' energy: -58.443
flat angles P-C4'-P energy: -33.606
tors. eta vs tors. theta energy: -71.005
Dist. restrs. and SS energy: 3.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -936.721012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.721012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.652137 (E_RNA)
where:
Base-Base interactions energy: -659.372
where: short stacking energy: -259.000
Base-Backbone interact. energy: -2.614
local terms energy: -281.665804
where:
bonds (distance) C4'-P energy: -49.999
bonds (distance) P-C4' energy: -66.009
flat angles C4'-P-C4' energy: -62.009
flat angles P-C4'-P energy: -33.963
tors. eta vs tors. theta energy: -69.687
Dist. restrs. and SS energy: 6.931 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -894.094959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.094959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.738555 (E_RNA)
where:
Base-Base interactions energy: -624.474
where: short stacking energy: -260.252
Base-Backbone interact. energy: -1.084
local terms energy: -278.181118
where:
bonds (distance) C4'-P energy: -57.745
bonds (distance) P-C4' energy: -53.712
flat angles C4'-P-C4' energy: -66.229
flat angles P-C4'-P energy: -42.328
tors. eta vs tors. theta energy: -58.168
Dist. restrs. and SS energy: 9.644 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -844.791861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.791861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.491092 (E_RNA)
where:
Base-Base interactions energy: -590.901
where: short stacking energy: -236.867
Base-Backbone interact. energy: 4.141
local terms energy: -268.730669
where:
bonds (distance) C4'-P energy: -59.271
bonds (distance) P-C4' energy: -50.233
flat angles C4'-P-C4' energy: -59.653
flat angles P-C4'-P energy: -43.521
tors. eta vs tors. theta energy: -56.053
Dist. restrs. and SS energy: 10.699 (S_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: 152
Temperature: 1.350000
Total energy: -829.906477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.906477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.604163 (E_RNA)
where:
Base-Base interactions energy: -570.379
where: short stacking energy: -223.173
Base-Backbone interact. energy: -1.444
local terms energy: -263.780483
where:
bonds (distance) C4'-P energy: -47.203
bonds (distance) P-C4' energy: -60.080
flat angles C4'-P-C4' energy: -54.373
flat angles P-C4'-P energy: -46.514
tors. eta vs tors. theta energy: -55.611
Dist. restrs. and SS energy: 5.698 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -1207.819768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.819768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.309113 (E_RNA)
where:
Base-Base interactions energy: -840.083
where: short stacking energy: -346.487
Base-Backbone interact. energy: -3.559
local terms energy: -366.666676
where:
bonds (distance) C4'-P energy: -66.602
bonds (distance) P-C4' energy: -72.664
flat angles C4'-P-C4' energy: -73.835
flat angles P-C4'-P energy: -55.206
tors. eta vs tors. theta energy: -98.361
Dist. restrs. and SS energy: 2.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -1155.449782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.449782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.626098 (E_RNA)
where:
Base-Base interactions energy: -796.964
where: short stacking energy: -333.935
Base-Backbone interact. energy: -3.489
local terms energy: -358.173697
where:
bonds (distance) C4'-P energy: -69.563
bonds (distance) P-C4' energy: -62.261
flat angles C4'-P-C4' energy: -75.051
flat angles P-C4'-P energy: -55.769
tors. eta vs tors. theta energy: -95.530
Dist. restrs. and SS energy: 3.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -1167.826685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.826685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.668322 (E_RNA)
where:
Base-Base interactions energy: -830.661
where: short stacking energy: -301.725
Base-Backbone interact. energy: -4.888
local terms energy: -335.119473
where:
bonds (distance) C4'-P energy: -61.388
bonds (distance) P-C4' energy: -59.328
flat angles C4'-P-C4' energy: -81.364
flat angles P-C4'-P energy: -52.423
tors. eta vs tors. theta energy: -80.616
Dist. restrs. and SS energy: 2.842 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -1049.763474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.763474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.676384 (E_RNA)
where:
Base-Base interactions energy: -719.722
where: short stacking energy: -302.586
Base-Backbone interact. energy: -0.774
local terms energy: -335.180358
where:
bonds (distance) C4'-P energy: -58.978
bonds (distance) P-C4' energy: -73.665
flat angles C4'-P-C4' energy: -66.623
flat angles P-C4'-P energy: -49.364
tors. eta vs tors. theta energy: -86.550
Dist. restrs. and SS energy: 5.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -1037.904249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.904249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.826888 (E_RNA)
where:
Base-Base interactions energy: -756.079
where: short stacking energy: -305.205
Base-Backbone interact. energy: -3.164
local terms energy: -283.584367
where:
bonds (distance) C4'-P energy: -54.225
bonds (distance) P-C4' energy: -44.390
flat angles C4'-P-C4' energy: -69.692
flat angles P-C4'-P energy: -36.581
tors. eta vs tors. theta energy: -78.697
Dist. restrs. and SS energy: 4.923 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -958.055001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.055001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.498626 (E_RNA)
where:
Base-Base interactions energy: -665.600
where: short stacking energy: -274.793
Base-Backbone interact. energy: -0.663
local terms energy: -298.236359
where:
bonds (distance) C4'-P energy: -47.023
bonds (distance) P-C4' energy: -62.609
flat angles C4'-P-C4' energy: -69.884
flat angles P-C4'-P energy: -52.793
tors. eta vs tors. theta energy: -65.928
Dist. restrs. and SS energy: 6.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -922.150849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.150849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.731635 (E_RNA)
where:
Base-Base interactions energy: -672.917
where: short stacking energy: -255.608
Base-Backbone interact. energy: -1.330
local terms energy: -253.484643
where:
bonds (distance) C4'-P energy: -47.916
bonds (distance) P-C4' energy: -62.999
flat angles C4'-P-C4' energy: -64.313
flat angles P-C4'-P energy: -31.252
tors. eta vs tors. theta energy: -47.006
Dist. restrs. and SS energy: 5.581 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -888.329615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.329615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.599006 (E_RNA)
where:
Base-Base interactions energy: -631.704
where: short stacking energy: -271.955
Base-Backbone interact. energy: -1.090
local terms energy: -267.804935
where:
bonds (distance) C4'-P energy: -44.862
bonds (distance) P-C4' energy: -58.692
flat angles C4'-P-C4' energy: -60.914
flat angles P-C4'-P energy: -31.136
tors. eta vs tors. theta energy: -72.201
Dist. restrs. and SS energy: 12.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -828.316168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.316168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.007335 (E_RNA)
where:
Base-Base interactions energy: -584.017
where: short stacking energy: -226.023
Base-Backbone interact. energy: 1.873
local terms energy: -259.863267
where:
bonds (distance) C4'-P energy: -54.941
bonds (distance) P-C4' energy: -58.513
flat angles C4'-P-C4' energy: -57.917
flat angles P-C4'-P energy: -36.542
tors. eta vs tors. theta energy: -51.950
Dist. restrs. and SS energy: 13.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -863.613999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.613999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.082097 (E_RNA)
where:
Base-Base interactions energy: -591.781
where: short stacking energy: -241.805
Base-Backbone interact. energy: -0.431
local terms energy: -276.869769
where:
bonds (distance) C4'-P energy: -56.002
bonds (distance) P-C4' energy: -67.332
flat angles C4'-P-C4' energy: -59.454
flat angles P-C4'-P energy: -35.026
tors. eta vs tors. theta energy: -59.056
Dist. restrs. and SS energy: 5.468 (S_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: 154
Temperature: 0.900000
Total energy: -1202.729579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.729579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.725998 (E_RNA)
where:
Base-Base interactions energy: -833.617
where: short stacking energy: -347.204
Base-Backbone interact. energy: -1.193
local terms energy: -370.916632
where:
bonds (distance) C4'-P energy: -65.506
bonds (distance) P-C4' energy: -75.527
flat angles C4'-P-C4' energy: -74.643
flat angles P-C4'-P energy: -51.364
tors. eta vs tors. theta energy: -103.876
Dist. restrs. and SS energy: 2.996 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -1149.832612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.832612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.522065 (E_RNA)
where:
Base-Base interactions energy: -813.860
where: short stacking energy: -341.338
Base-Backbone interact. energy: -1.671
local terms energy: -337.990684
where:
bonds (distance) C4'-P energy: -57.355
bonds (distance) P-C4' energy: -72.915
flat angles C4'-P-C4' energy: -72.175
flat angles P-C4'-P energy: -41.904
tors. eta vs tors. theta energy: -93.642
Dist. restrs. and SS energy: 3.689 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -1155.726758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.726758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.822951 (E_RNA)
where:
Base-Base interactions energy: -814.856
where: short stacking energy: -318.779
Base-Backbone interact. energy: 4.526
local terms energy: -348.492866
where:
bonds (distance) C4'-P energy: -62.255
bonds (distance) P-C4' energy: -75.710
flat angles C4'-P-C4' energy: -70.543
flat angles P-C4'-P energy: -48.791
tors. eta vs tors. theta energy: -91.193
Dist. restrs. and SS energy: 3.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -1070.985514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.985514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.115108 (E_RNA)
where:
Base-Base interactions energy: -737.106
where: short stacking energy: -291.317
Base-Backbone interact. energy: -1.990
local terms energy: -338.018693
where:
bonds (distance) C4'-P energy: -64.048
bonds (distance) P-C4' energy: -70.207
flat angles C4'-P-C4' energy: -73.959
flat angles P-C4'-P energy: -51.893
tors. eta vs tors. theta energy: -77.911
Dist. restrs. and SS energy: 6.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -1063.235619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.235619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.983075 (E_RNA)
where:
Base-Base interactions energy: -748.240
where: short stacking energy: -300.481
Base-Backbone interact. energy: -3.496
local terms energy: -317.246584
where:
bonds (distance) C4'-P energy: -56.398
bonds (distance) P-C4' energy: -59.953
flat angles C4'-P-C4' energy: -74.867
flat angles P-C4'-P energy: -50.679
tors. eta vs tors. theta energy: -75.350
Dist. restrs. and SS energy: 5.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -934.576326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.576326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.834294 (E_RNA)
where:
Base-Base interactions energy: -662.359
where: short stacking energy: -262.597
Base-Backbone interact. energy: 0.169
local terms energy: -276.644052
where:
bonds (distance) C4'-P energy: -53.176
bonds (distance) P-C4' energy: -58.937
flat angles C4'-P-C4' energy: -67.671
flat angles P-C4'-P energy: -38.989
tors. eta vs tors. theta energy: -57.871
Dist. restrs. and SS energy: 4.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -930.149846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.149846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.473342 (E_RNA)
where:
Base-Base interactions energy: -649.434
where: short stacking energy: -274.580
Base-Backbone interact. energy: 1.960
local terms energy: -288.999547
where:
bonds (distance) C4'-P energy: -47.618
bonds (distance) P-C4' energy: -61.402
flat angles C4'-P-C4' energy: -69.957
flat angles P-C4'-P energy: -41.519
tors. eta vs tors. theta energy: -68.503
Dist. restrs. and SS energy: 6.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -887.093433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.093433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.139070 (E_RNA)
where:
Base-Base interactions energy: -619.877
where: short stacking energy: -249.071
Base-Backbone interact. energy: 0.201
local terms energy: -277.463138
where:
bonds (distance) C4'-P energy: -52.604
bonds (distance) P-C4' energy: -55.705
flat angles C4'-P-C4' energy: -67.717
flat angles P-C4'-P energy: -40.697
tors. eta vs tors. theta energy: -60.740
Dist. restrs. and SS energy: 10.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -842.031904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.031904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.589166 (E_RNA)
where:
Base-Base interactions energy: -577.192
where: short stacking energy: -231.234
Base-Backbone interact. energy: -1.804
local terms energy: -273.593360
where:
bonds (distance) C4'-P energy: -53.808
bonds (distance) P-C4' energy: -59.400
flat angles C4'-P-C4' energy: -70.223
flat angles P-C4'-P energy: -43.080
tors. eta vs tors. theta energy: -47.082
Dist. restrs. and SS energy: 10.557 (S_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: 154
Temperature: 1.350000
Total energy: -806.934551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.934551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.454199 (E_RNA)
where:
Base-Base interactions energy: -575.280
where: short stacking energy: -219.658
Base-Backbone interact. energy: 1.609
local terms energy: -244.783574
where:
bonds (distance) C4'-P energy: -51.167
bonds (distance) P-C4' energy: -54.950
flat angles C4'-P-C4' energy: -68.389
flat angles P-C4'-P energy: -26.120
tors. eta vs tors. theta energy: -44.157
Dist. restrs. and SS energy: 11.520 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -1210.926511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.926511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.381636 (E_RNA)
where:
Base-Base interactions energy: -832.450
where: short stacking energy: -340.770
Base-Backbone interact. energy: 1.627
local terms energy: -382.557859
where:
bonds (distance) C4'-P energy: -69.632
bonds (distance) P-C4' energy: -75.891
flat angles C4'-P-C4' energy: -72.905
flat angles P-C4'-P energy: -59.583
tors. eta vs tors. theta energy: -104.548
Dist. restrs. and SS energy: 2.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -1144.239081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.239081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.348112 (E_RNA)
where:
Base-Base interactions energy: -787.599
where: short stacking energy: -323.078
Base-Backbone interact. energy: -3.418
local terms energy: -356.331315
where:
bonds (distance) C4'-P energy: -67.497
bonds (distance) P-C4' energy: -60.723
flat angles C4'-P-C4' energy: -74.811
flat angles P-C4'-P energy: -55.061
tors. eta vs tors. theta energy: -98.240
Dist. restrs. and SS energy: 3.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -1143.965843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.965843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.564464 (E_RNA)
where:
Base-Base interactions energy: -810.231
where: short stacking energy: -309.863
Base-Backbone interact. energy: 1.728
local terms energy: -338.061251
where:
bonds (distance) C4'-P energy: -62.072
bonds (distance) P-C4' energy: -73.233
flat angles C4'-P-C4' energy: -76.689
flat angles P-C4'-P energy: -45.010
tors. eta vs tors. theta energy: -81.056
Dist. restrs. and SS energy: 2.599 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -1041.276065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.276065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.140402 (E_RNA)
where:
Base-Base interactions energy: -730.265
where: short stacking energy: -274.658
Base-Backbone interact. energy: -0.743
local terms energy: -314.132310
where:
bonds (distance) C4'-P energy: -52.290
bonds (distance) P-C4' energy: -69.480
flat angles C4'-P-C4' energy: -68.468
flat angles P-C4'-P energy: -52.323
tors. eta vs tors. theta energy: -71.571
Dist. restrs. and SS energy: 3.864 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -1032.755679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.755679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.126852 (E_RNA)
where:
Base-Base interactions energy: -729.234
where: short stacking energy: -281.950
Base-Backbone interact. energy: -1.733
local terms energy: -305.159313
where:
bonds (distance) C4'-P energy: -60.880
bonds (distance) P-C4' energy: -65.595
flat angles C4'-P-C4' energy: -57.894
flat angles P-C4'-P energy: -43.520
tors. eta vs tors. theta energy: -77.270
Dist. restrs. and SS energy: 3.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -998.956572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.956572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.194757 (E_RNA)
where:
Base-Base interactions energy: -703.881
where: short stacking energy: -280.452
Base-Backbone interact. energy: -0.653
local terms energy: -297.660469
where:
bonds (distance) C4'-P energy: -59.870
bonds (distance) P-C4' energy: -61.712
flat angles C4'-P-C4' energy: -64.259
flat angles P-C4'-P energy: -49.904
tors. eta vs tors. theta energy: -61.915
Dist. restrs. and SS energy: 3.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -938.071577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.071577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.535506 (E_RNA)
where:
Base-Base interactions energy: -642.527
where: short stacking energy: -273.025
Base-Backbone interact. energy: -1.303
local terms energy: -301.705093
where:
bonds (distance) C4'-P energy: -66.163
bonds (distance) P-C4' energy: -53.623
flat angles C4'-P-C4' energy: -65.829
flat angles P-C4'-P energy: -44.368
tors. eta vs tors. theta energy: -71.723
Dist. restrs. and SS energy: 7.464 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -877.531186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.531186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.171982 (E_RNA)
where:
Base-Base interactions energy: -613.507
where: short stacking energy: -247.191
Base-Backbone interact. energy: -1.419
local terms energy: -281.246121
where:
bonds (distance) C4'-P energy: -55.576
bonds (distance) P-C4' energy: -54.230
flat angles C4'-P-C4' energy: -72.720
flat angles P-C4'-P energy: -45.525
tors. eta vs tors. theta energy: -53.195
Dist. restrs. and SS energy: 18.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -836.255466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.255466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.802523 (E_RNA)
where:
Base-Base interactions energy: -583.180
where: short stacking energy: -238.204
Base-Backbone interact. energy: -3.268
local terms energy: -262.354638
where:
bonds (distance) C4'-P energy: -66.610
bonds (distance) P-C4' energy: -52.169
flat angles C4'-P-C4' energy: -52.073
flat angles P-C4'-P energy: -32.506
tors. eta vs tors. theta energy: -58.996
Dist. restrs. and SS energy: 12.547 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -855.516720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.516720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.317814 (E_RNA)
where:
Base-Base interactions energy: -622.321
where: short stacking energy: -239.435
Base-Backbone interact. energy: 0.870
local terms energy: -247.866168
where:
bonds (distance) C4'-P energy: -54.933
bonds (distance) P-C4' energy: -55.194
flat angles C4'-P-C4' energy: -48.457
flat angles P-C4'-P energy: -34.187
tors. eta vs tors. theta energy: -55.096
Dist. restrs. and SS energy: 13.801 (S_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: 156
Temperature: 0.900000
Total energy: -1216.192387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.192387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.046661 (E_RNA)
where:
Base-Base interactions energy: -856.497
where: short stacking energy: -355.450
Base-Backbone interact. energy: -2.655
local terms energy: -360.895215
where:
bonds (distance) C4'-P energy: -70.026
bonds (distance) P-C4' energy: -65.084
flat angles C4'-P-C4' energy: -72.216
flat angles P-C4'-P energy: -46.782
tors. eta vs tors. theta energy: -106.787
Dist. restrs. and SS energy: 3.854 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -1162.729264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.729264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.121896 (E_RNA)
where:
Base-Base interactions energy: -815.778
where: short stacking energy: -343.417
Base-Backbone interact. energy: -0.368
local terms energy: -349.975809
where:
bonds (distance) C4'-P energy: -57.013
bonds (distance) P-C4' energy: -68.151
flat angles C4'-P-C4' energy: -76.636
flat angles P-C4'-P energy: -53.133
tors. eta vs tors. theta energy: -95.042
Dist. restrs. and SS energy: 3.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -1153.835915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.835915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.042368 (E_RNA)
where:
Base-Base interactions energy: -811.528
where: short stacking energy: -335.535
Base-Backbone interact. energy: 0.633
local terms energy: -346.147637
where:
bonds (distance) C4'-P energy: -70.603
bonds (distance) P-C4' energy: -61.912
flat angles C4'-P-C4' energy: -76.240
flat angles P-C4'-P energy: -40.959
tors. eta vs tors. theta energy: -96.434
Dist. restrs. and SS energy: 3.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -1077.505129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.505129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.991077 (E_RNA)
where:
Base-Base interactions energy: -765.278
where: short stacking energy: -305.288
Base-Backbone interact. energy: -0.303
local terms energy: -315.410799
where:
bonds (distance) C4'-P energy: -55.727
bonds (distance) P-C4' energy: -58.342
flat angles C4'-P-C4' energy: -70.345
flat angles P-C4'-P energy: -46.190
tors. eta vs tors. theta energy: -84.807
Dist. restrs. and SS energy: 3.486 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -1057.984494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.984494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.860947 (E_RNA)
where:
Base-Base interactions energy: -765.989
where: short stacking energy: -306.001
Base-Backbone interact. energy: 0.716
local terms energy: -295.588255
where:
bonds (distance) C4'-P energy: -44.546
bonds (distance) P-C4' energy: -48.705
flat angles C4'-P-C4' energy: -72.651
flat angles P-C4'-P energy: -48.959
tors. eta vs tors. theta energy: -80.727
Dist. restrs. and SS energy: 2.876 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -948.058834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.058834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.967933 (E_RNA)
where:
Base-Base interactions energy: -659.393
where: short stacking energy: -256.989
Base-Backbone interact. energy: -1.318
local terms energy: -290.257271
where:
bonds (distance) C4'-P energy: -59.056
bonds (distance) P-C4' energy: -60.533
flat angles C4'-P-C4' energy: -64.075
flat angles P-C4'-P energy: -49.133
tors. eta vs tors. theta energy: -57.461
Dist. restrs. and SS energy: 2.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -966.182547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.182547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.620552 (E_RNA)
where:
Base-Base interactions energy: -691.290
where: short stacking energy: -268.198
Base-Backbone interact. energy: -1.588
local terms energy: -279.742437
where:
bonds (distance) C4'-P energy: -40.526
bonds (distance) P-C4' energy: -64.215
flat angles C4'-P-C4' energy: -57.655
flat angles P-C4'-P energy: -46.950
tors. eta vs tors. theta energy: -70.395
Dist. restrs. and SS energy: 6.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -879.185712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.185712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.134662 (E_RNA)
where:
Base-Base interactions energy: -601.308
where: short stacking energy: -249.231
Base-Backbone interact. energy: 0.523
local terms energy: -284.349812
where:
bonds (distance) C4'-P energy: -52.339
bonds (distance) P-C4' energy: -50.800
flat angles C4'-P-C4' energy: -62.713
flat angles P-C4'-P energy: -49.111
tors. eta vs tors. theta energy: -69.385
Dist. restrs. and SS energy: 5.949 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -859.078499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.078499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.519657 (E_RNA)
where:
Base-Base interactions energy: -612.264
where: short stacking energy: -239.790
Base-Backbone interact. energy: 1.539
local terms energy: -256.794922
where:
bonds (distance) C4'-P energy: -48.166
bonds (distance) P-C4' energy: -58.647
flat angles C4'-P-C4' energy: -47.640
flat angles P-C4'-P energy: -40.712
tors. eta vs tors. theta energy: -61.630
Dist. restrs. and SS energy: 8.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -840.112691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.112691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.587300 (E_RNA)
where:
Base-Base interactions energy: -585.298
where: short stacking energy: -219.019
Base-Backbone interact. energy: 1.909
local terms energy: -261.198323
where:
bonds (distance) C4'-P energy: -48.898
bonds (distance) P-C4' energy: -51.098
flat angles C4'-P-C4' energy: -64.501
flat angles P-C4'-P energy: -48.457
tors. eta vs tors. theta energy: -48.244
Dist. restrs. and SS energy: 4.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -1192.230376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.230376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.264972 (E_RNA)
where:
Base-Base interactions energy: -830.112
where: short stacking energy: -339.094
Base-Backbone interact. energy: 5.929
local terms energy: -372.082677
where:
bonds (distance) C4'-P energy: -67.392
bonds (distance) P-C4' energy: -73.456
flat angles C4'-P-C4' energy: -77.037
flat angles P-C4'-P energy: -58.546
tors. eta vs tors. theta energy: -95.652
Dist. restrs. and SS energy: 4.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -1147.579426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.579426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.012019 (E_RNA)
where:
Base-Base interactions energy: -807.309
where: short stacking energy: -329.889
Base-Backbone interact. energy: 0.367
local terms energy: -344.070163
where:
bonds (distance) C4'-P energy: -68.762
bonds (distance) P-C4' energy: -66.192
flat angles C4'-P-C4' energy: -76.486
flat angles P-C4'-P energy: -43.344
tors. eta vs tors. theta energy: -89.286
Dist. restrs. and SS energy: 3.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -1114.407269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.407269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.454216 (E_RNA)
where:
Base-Base interactions energy: -766.412
where: short stacking energy: -313.270
Base-Backbone interact. energy: -2.215
local terms energy: -349.827349
where:
bonds (distance) C4'-P energy: -66.489
bonds (distance) P-C4' energy: -63.258
flat angles C4'-P-C4' energy: -81.102
flat angles P-C4'-P energy: -49.831
tors. eta vs tors. theta energy: -89.147
Dist. restrs. and SS energy: 4.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -1054.929108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.929108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.453896 (E_RNA)
where:
Base-Base interactions energy: -728.680
where: short stacking energy: -286.089
Base-Backbone interact. energy: -4.300
local terms energy: -325.473094
where:
bonds (distance) C4'-P energy: -62.340
bonds (distance) P-C4' energy: -65.630
flat angles C4'-P-C4' energy: -63.151
flat angles P-C4'-P energy: -53.966
tors. eta vs tors. theta energy: -80.386
Dist. restrs. and SS energy: 3.525 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -1014.140636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.140636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.471383 (E_RNA)
where:
Base-Base interactions energy: -716.872
where: short stacking energy: -284.809
Base-Backbone interact. energy: -3.824
local terms energy: -296.775583
where:
bonds (distance) C4'-P energy: -54.053
bonds (distance) P-C4' energy: -53.554
flat angles C4'-P-C4' energy: -66.297
flat angles P-C4'-P energy: -50.923
tors. eta vs tors. theta energy: -71.950
Dist. restrs. and SS energy: 3.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -972.620636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.620636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.188466 (E_RNA)
where:
Base-Base interactions energy: -672.244
where: short stacking energy: -274.727
Base-Backbone interact. energy: -1.572
local terms energy: -307.372470
where:
bonds (distance) C4'-P energy: -68.261
bonds (distance) P-C4' energy: -68.278
flat angles C4'-P-C4' energy: -63.887
flat angles P-C4'-P energy: -34.941
tors. eta vs tors. theta energy: -72.006
Dist. restrs. and SS energy: 8.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -919.728443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.728443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.127132 (E_RNA)
where:
Base-Base interactions energy: -640.600
where: short stacking energy: -259.656
Base-Backbone interact. energy: 1.387
local terms energy: -284.913557
where:
bonds (distance) C4'-P energy: -55.732
bonds (distance) P-C4' energy: -67.910
flat angles C4'-P-C4' energy: -55.031
flat angles P-C4'-P energy: -51.268
tors. eta vs tors. theta energy: -54.972
Dist. restrs. and SS energy: 4.399 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -937.560039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.560039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.658521 (E_RNA)
where:
Base-Base interactions energy: -678.524
where: short stacking energy: -253.488
Base-Backbone interact. energy: -1.240
local terms energy: -261.894067
where:
bonds (distance) C4'-P energy: -53.536
bonds (distance) P-C4' energy: -51.148
flat angles C4'-P-C4' energy: -57.307
flat angles P-C4'-P energy: -38.696
tors. eta vs tors. theta energy: -61.208
Dist. restrs. and SS energy: 4.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -850.378239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.378239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.224395 (E_RNA)
where:
Base-Base interactions energy: -586.566
where: short stacking energy: -237.586
Base-Backbone interact. energy: -1.768
local terms energy: -278.891004
where:
bonds (distance) C4'-P energy: -54.962
bonds (distance) P-C4' energy: -64.554
flat angles C4'-P-C4' energy: -58.430
flat angles P-C4'-P energy: -41.985
tors. eta vs tors. theta energy: -58.959
Dist. restrs. and SS energy: 16.846 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -854.096782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.096782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.709240 (E_RNA)
where:
Base-Base interactions energy: -604.233
where: short stacking energy: -242.024
Base-Backbone interact. energy: -2.379
local terms energy: -252.097258
where:
bonds (distance) C4'-P energy: -48.824
bonds (distance) P-C4' energy: -55.048
flat angles C4'-P-C4' energy: -56.643
flat angles P-C4'-P energy: -39.403
tors. eta vs tors. theta energy: -52.180
Dist. restrs. and SS energy: 4.612 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -1222.389213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.389213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.239233 (E_RNA)
where:
Base-Base interactions energy: -859.281
where: short stacking energy: -355.574
Base-Backbone interact. energy: -2.080
local terms energy: -364.878145
where:
bonds (distance) C4'-P energy: -54.802
bonds (distance) P-C4' energy: -77.639
flat angles C4'-P-C4' energy: -76.534
flat angles P-C4'-P energy: -50.796
tors. eta vs tors. theta energy: -105.107
Dist. restrs. and SS energy: 3.850 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -1148.579732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.579732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.649329 (E_RNA)
where:
Base-Base interactions energy: -797.997
where: short stacking energy: -321.735
Base-Backbone interact. energy: 0.142
local terms energy: -353.793997
where:
bonds (distance) C4'-P energy: -60.899
bonds (distance) P-C4' energy: -66.545
flat angles C4'-P-C4' energy: -78.216
flat angles P-C4'-P energy: -54.384
tors. eta vs tors. theta energy: -93.750
Dist. restrs. and SS energy: 3.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -1115.777157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.777157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.940098 (E_RNA)
where:
Base-Base interactions energy: -784.045
where: short stacking energy: -315.699
Base-Backbone interact. energy: -0.016
local terms energy: -334.878720
where:
bonds (distance) C4'-P energy: -54.492
bonds (distance) P-C4' energy: -65.366
flat angles C4'-P-C4' energy: -79.613
flat angles P-C4'-P energy: -47.820
tors. eta vs tors. theta energy: -87.589
Dist. restrs. and SS energy: 3.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -1058.134089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.134089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.944840 (E_RNA)
where:
Base-Base interactions energy: -720.863
where: short stacking energy: -286.437
Base-Backbone interact. energy: 2.118
local terms energy: -344.199877
where:
bonds (distance) C4'-P energy: -69.983
bonds (distance) P-C4' energy: -75.278
flat angles C4'-P-C4' energy: -71.976
flat angles P-C4'-P energy: -47.475
tors. eta vs tors. theta energy: -79.488
Dist. restrs. and SS energy: 4.811 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -1005.062164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.062164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.093487 (E_RNA)
where:
Base-Base interactions energy: -693.941
where: short stacking energy: -284.839
Base-Backbone interact. energy: -0.080
local terms energy: -314.073092
where:
bonds (distance) C4'-P energy: -59.799
bonds (distance) P-C4' energy: -70.311
flat angles C4'-P-C4' energy: -63.713
flat angles P-C4'-P energy: -40.467
tors. eta vs tors. theta energy: -79.784
Dist. restrs. and SS energy: 3.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -991.279161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.279161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.645819 (E_RNA)
where:
Base-Base interactions energy: -721.392
where: short stacking energy: -273.148
Base-Backbone interact. energy: -1.368
local terms energy: -273.885478
where:
bonds (distance) C4'-P energy: -50.030
bonds (distance) P-C4' energy: -59.545
flat angles C4'-P-C4' energy: -65.413
flat angles P-C4'-P energy: -36.224
tors. eta vs tors. theta energy: -62.673
Dist. restrs. and SS energy: 5.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -927.062562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.062562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.435212 (E_RNA)
where:
Base-Base interactions energy: -658.796
where: short stacking energy: -245.240
Base-Backbone interact. energy: -2.652
local terms energy: -268.987473
where:
bonds (distance) C4'-P energy: -51.468
bonds (distance) P-C4' energy: -66.702
flat angles C4'-P-C4' energy: -58.674
flat angles P-C4'-P energy: -39.148
tors. eta vs tors. theta energy: -52.995
Dist. restrs. and SS energy: 3.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -957.155119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.155119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.565943 (E_RNA)
where:
Base-Base interactions energy: -665.941
where: short stacking energy: -269.502
Base-Backbone interact. energy: -1.088
local terms energy: -293.536387
where:
bonds (distance) C4'-P energy: -47.863
bonds (distance) P-C4' energy: -64.793
flat angles C4'-P-C4' energy: -67.131
flat angles P-C4'-P energy: -42.765
tors. eta vs tors. theta energy: -70.986
Dist. restrs. and SS energy: 3.411 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -856.039167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.039167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.802663 (E_RNA)
where:
Base-Base interactions energy: -604.368
where: short stacking energy: -263.572
Base-Backbone interact. energy: 2.927
local terms energy: -268.361792
where:
bonds (distance) C4'-P energy: -46.552
bonds (distance) P-C4' energy: -53.090
flat angles C4'-P-C4' energy: -64.017
flat angles P-C4'-P energy: -36.241
tors. eta vs tors. theta energy: -68.462
Dist. restrs. and SS energy: 13.763 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -849.132712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.132712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.725143 (E_RNA)
where:
Base-Base interactions energy: -618.111
where: short stacking energy: -230.349
Base-Backbone interact. energy: 0.134
local terms energy: -235.748994
where:
bonds (distance) C4'-P energy: -55.220
bonds (distance) P-C4' energy: -50.230
flat angles C4'-P-C4' energy: -48.448
flat angles P-C4'-P energy: -32.508
tors. eta vs tors. theta energy: -49.343
Dist. restrs. and SS energy: 4.592 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -1218.536538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.536538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.528929 (E_RNA)
where:
Base-Base interactions energy: -877.216
where: short stacking energy: -359.678
Base-Backbone interact. energy: -2.124
local terms energy: -342.188897
where:
bonds (distance) C4'-P energy: -67.925
bonds (distance) P-C4' energy: -45.092
flat angles C4'-P-C4' energy: -69.961
flat angles P-C4'-P energy: -54.977
tors. eta vs tors. theta energy: -104.234
Dist. restrs. and SS energy: 2.992 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -1160.791777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.791777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.341552 (E_RNA)
where:
Base-Base interactions energy: -808.209
where: short stacking energy: -326.794
Base-Backbone interact. energy: -1.985
local terms energy: -354.148107
where:
bonds (distance) C4'-P energy: -76.449
bonds (distance) P-C4' energy: -67.371
flat angles C4'-P-C4' energy: -77.344
flat angles P-C4'-P energy: -37.296
tors. eta vs tors. theta energy: -95.688
Dist. restrs. and SS energy: 3.550 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -1115.604298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.604298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.457146 (E_RNA)
where:
Base-Base interactions energy: -779.211
where: short stacking energy: -337.145
Base-Backbone interact. energy: -1.090
local terms energy: -340.155826
where:
bonds (distance) C4'-P energy: -59.798
bonds (distance) P-C4' energy: -62.005
flat angles C4'-P-C4' energy: -78.656
flat angles P-C4'-P energy: -50.777
tors. eta vs tors. theta energy: -88.920
Dist. restrs. and SS energy: 4.853 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -1105.674400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.674400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.587203 (E_RNA)
where:
Base-Base interactions energy: -768.294
where: short stacking energy: -303.568
Base-Backbone interact. energy: -2.020
local terms energy: -338.272985
where:
bonds (distance) C4'-P energy: -67.187
bonds (distance) P-C4' energy: -55.202
flat angles C4'-P-C4' energy: -74.583
flat angles P-C4'-P energy: -55.850
tors. eta vs tors. theta energy: -85.451
Dist. restrs. and SS energy: 2.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -1015.670078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.670078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.805774 (E_RNA)
where:
Base-Base interactions energy: -705.546
where: short stacking energy: -281.743
Base-Backbone interact. energy: -2.877
local terms energy: -310.383593
where:
bonds (distance) C4'-P energy: -50.118
bonds (distance) P-C4' energy: -72.221
flat angles C4'-P-C4' energy: -71.017
flat angles P-C4'-P energy: -49.066
tors. eta vs tors. theta energy: -67.961
Dist. restrs. and SS energy: 3.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -991.758171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.758171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.373055 (E_RNA)
where:
Base-Base interactions energy: -701.148
where: short stacking energy: -274.443
Base-Backbone interact. energy: -0.777
local terms energy: -297.447990
where:
bonds (distance) C4'-P energy: -68.089
bonds (distance) P-C4' energy: -60.399
flat angles C4'-P-C4' energy: -69.354
flat angles P-C4'-P energy: -40.689
tors. eta vs tors. theta energy: -58.916
Dist. restrs. and SS energy: 7.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -932.868012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.868012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.135565 (E_RNA)
where:
Base-Base interactions energy: -662.360
where: short stacking energy: -256.429
Base-Backbone interact. energy: -1.759
local terms energy: -273.017092
where:
bonds (distance) C4'-P energy: -59.327
bonds (distance) P-C4' energy: -60.965
flat angles C4'-P-C4' energy: -56.173
flat angles P-C4'-P energy: -39.547
tors. eta vs tors. theta energy: -57.005
Dist. restrs. and SS energy: 4.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -945.133198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.133198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.156902 (E_RNA)
where:
Base-Base interactions energy: -666.796
where: short stacking energy: -261.784
Base-Backbone interact. energy: -1.120
local terms energy: -286.240133
where:
bonds (distance) C4'-P energy: -54.056
bonds (distance) P-C4' energy: -61.338
flat angles C4'-P-C4' energy: -65.414
flat angles P-C4'-P energy: -44.933
tors. eta vs tors. theta energy: -60.499
Dist. restrs. and SS energy: 9.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -826.509441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.509441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.954344 (E_RNA)
where:
Base-Base interactions energy: -570.341
where: short stacking energy: -238.117
Base-Backbone interact. energy: -1.529
local terms energy: -266.084750
where:
bonds (distance) C4'-P energy: -53.583
bonds (distance) P-C4' energy: -54.286
flat angles C4'-P-C4' energy: -60.016
flat angles P-C4'-P energy: -37.298
tors. eta vs tors. theta energy: -60.902
Dist. restrs. and SS energy: 11.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -843.219132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.219132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.118472 (E_RNA)
where:
Base-Base interactions energy: -586.503
where: short stacking energy: -219.931
Base-Backbone interact. energy: 1.721
local terms energy: -263.336075
where:
bonds (distance) C4'-P energy: -68.070
bonds (distance) P-C4' energy: -58.589
flat angles C4'-P-C4' energy: -66.756
flat angles P-C4'-P energy: -24.847
tors. eta vs tors. theta energy: -45.075
Dist. restrs. and SS energy: 4.899 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -1200.183521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.183521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.766040 (E_RNA)
where:
Base-Base interactions energy: -822.392
where: short stacking energy: -331.928
Base-Backbone interact. energy: -3.830
local terms energy: -377.544040
where:
bonds (distance) C4'-P energy: -74.150
bonds (distance) P-C4' energy: -61.329
flat angles C4'-P-C4' energy: -77.616
flat angles P-C4'-P energy: -58.338
tors. eta vs tors. theta energy: -106.111
Dist. restrs. and SS energy: 3.583 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -1169.610034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.610034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.314422 (E_RNA)
where:
Base-Base interactions energy: -819.481
where: short stacking energy: -344.019
Base-Backbone interact. energy: -1.085
local terms energy: -351.748303
where:
bonds (distance) C4'-P energy: -57.704
bonds (distance) P-C4' energy: -69.456
flat angles C4'-P-C4' energy: -77.209
flat angles P-C4'-P energy: -47.668
tors. eta vs tors. theta energy: -99.711
Dist. restrs. and SS energy: 2.704 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -1168.149787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.149787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.773823 (E_RNA)
where:
Base-Base interactions energy: -801.774
where: short stacking energy: -335.188
Base-Backbone interact. energy: -1.513
local terms energy: -368.486610
where:
bonds (distance) C4'-P energy: -74.397
bonds (distance) P-C4' energy: -72.361
flat angles C4'-P-C4' energy: -71.699
flat angles P-C4'-P energy: -54.788
tors. eta vs tors. theta energy: -95.242
Dist. restrs. and SS energy: 3.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -1090.248323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.248323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.591081 (E_RNA)
where:
Base-Base interactions energy: -767.933
where: short stacking energy: -319.696
Base-Backbone interact. energy: -0.054
local terms energy: -325.604430
where:
bonds (distance) C4'-P energy: -62.608
bonds (distance) P-C4' energy: -57.316
flat angles C4'-P-C4' energy: -60.146
flat angles P-C4'-P energy: -53.888
tors. eta vs tors. theta energy: -91.646
Dist. restrs. and SS energy: 3.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -1018.875498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.875498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.321940 (E_RNA)
where:
Base-Base interactions energy: -716.272
where: short stacking energy: -282.523
Base-Backbone interact. energy: -1.478
local terms energy: -304.572652
where:
bonds (distance) C4'-P energy: -60.729
bonds (distance) P-C4' energy: -58.868
flat angles C4'-P-C4' energy: -69.234
flat angles P-C4'-P energy: -39.326
tors. eta vs tors. theta energy: -76.416
Dist. restrs. and SS energy: 3.446 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -982.189327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.189327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.819586 (E_RNA)
where:
Base-Base interactions energy: -707.691
where: short stacking energy: -278.745
Base-Backbone interact. energy: -0.512
local terms energy: -278.616637
where:
bonds (distance) C4'-P energy: -59.609
bonds (distance) P-C4' energy: -49.238
flat angles C4'-P-C4' energy: -65.179
flat angles P-C4'-P energy: -36.853
tors. eta vs tors. theta energy: -67.738
Dist. restrs. and SS energy: 4.630 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -985.033757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.033757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.359097 (E_RNA)
where:
Base-Base interactions energy: -702.691
where: short stacking energy: -289.588
Base-Backbone interact. energy: -4.178
local terms energy: -282.490502
where:
bonds (distance) C4'-P energy: -43.056
bonds (distance) P-C4' energy: -57.052
flat angles C4'-P-C4' energy: -63.959
flat angles P-C4'-P energy: -48.963
tors. eta vs tors. theta energy: -69.461
Dist. restrs. and SS energy: 4.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -884.642838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.642838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.218520 (E_RNA)
where:
Base-Base interactions energy: -635.146
where: short stacking energy: -246.047
Base-Backbone interact. energy: -2.180
local terms energy: -253.892811
where:
bonds (distance) C4'-P energy: -50.826
bonds (distance) P-C4' energy: -54.713
flat angles C4'-P-C4' energy: -62.188
flat angles P-C4'-P energy: -32.044
tors. eta vs tors. theta energy: -54.123
Dist. restrs. and SS energy: 6.576 (S_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: 160
Temperature: 1.300000
Total energy: -849.419586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.419586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.955191 (E_RNA)
where:
Base-Base interactions energy: -597.741
where: short stacking energy: -219.233
Base-Backbone interact. energy: -1.095
local terms energy: -264.119199
where:
bonds (distance) C4'-P energy: -59.664
bonds (distance) P-C4' energy: -63.187
flat angles C4'-P-C4' energy: -54.841
flat angles P-C4'-P energy: -33.184
tors. eta vs tors. theta energy: -53.243
Dist. restrs. and SS energy: 13.536 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -801.723297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.723297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.596336 (E_RNA)
where:
Base-Base interactions energy: -557.413
where: short stacking energy: -202.618
Base-Backbone interact. energy: 2.444
local terms energy: -259.626524
where:
bonds (distance) C4'-P energy: -61.755
bonds (distance) P-C4' energy: -68.600
flat angles C4'-P-C4' energy: -41.979
flat angles P-C4'-P energy: -36.013
tors. eta vs tors. theta energy: -51.280
Dist. restrs. and SS energy: 12.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -1222.355446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.355446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.049823 (E_RNA)
where:
Base-Base interactions energy: -827.882
where: short stacking energy: -352.434
Base-Backbone interact. energy: -1.119
local terms energy: -396.049428
where:
bonds (distance) C4'-P energy: -72.375
bonds (distance) P-C4' energy: -77.837
flat angles C4'-P-C4' energy: -81.319
flat angles P-C4'-P energy: -55.042
tors. eta vs tors. theta energy: -109.477
Dist. restrs. and SS energy: 2.694 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -1173.195750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.195750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.282693 (E_RNA)
where:
Base-Base interactions energy: -824.968
where: short stacking energy: -342.476
Base-Backbone interact. energy: -2.469
local terms energy: -348.845710
where:
bonds (distance) C4'-P energy: -66.057
bonds (distance) P-C4' energy: -63.304
flat angles C4'-P-C4' energy: -75.802
flat angles P-C4'-P energy: -51.887
tors. eta vs tors. theta energy: -91.796
Dist. restrs. and SS energy: 3.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -1117.372750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.372750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.774325 (E_RNA)
where:
Base-Base interactions energy: -774.765
where: short stacking energy: -318.955
Base-Backbone interact. energy: -1.927
local terms energy: -345.081979
where:
bonds (distance) C4'-P energy: -70.262
bonds (distance) P-C4' energy: -57.398
flat angles C4'-P-C4' energy: -75.452
flat angles P-C4'-P energy: -49.971
tors. eta vs tors. theta energy: -91.998
Dist. restrs. and SS energy: 4.402 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -1119.658834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.658834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.461450 (E_RNA)
where:
Base-Base interactions energy: -771.409
where: short stacking energy: -315.488
Base-Backbone interact. energy: -3.313
local terms energy: -349.739812
where:
bonds (distance) C4'-P energy: -50.786
bonds (distance) P-C4' energy: -74.355
flat angles C4'-P-C4' energy: -72.930
flat angles P-C4'-P energy: -60.341
tors. eta vs tors. theta energy: -91.328
Dist. restrs. and SS energy: 4.803 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -1023.474115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.474115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.398634 (E_RNA)
where:
Base-Base interactions energy: -709.221
where: short stacking energy: -278.718
Base-Backbone interact. energy: -2.066
local terms energy: -315.111453
where:
bonds (distance) C4'-P energy: -61.637
bonds (distance) P-C4' energy: -58.855
flat angles C4'-P-C4' energy: -58.688
flat angles P-C4'-P energy: -60.299
tors. eta vs tors. theta energy: -75.632
Dist. restrs. and SS energy: 2.925 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -995.724278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.724278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.069103 (E_RNA)
where:
Base-Base interactions energy: -686.738
where: short stacking energy: -289.076
Base-Backbone interact. energy: -1.721
local terms energy: -313.609424
where:
bonds (distance) C4'-P energy: -63.794
bonds (distance) P-C4' energy: -63.298
flat angles C4'-P-C4' energy: -70.999
flat angles P-C4'-P energy: -45.350
tors. eta vs tors. theta energy: -70.169
Dist. restrs. and SS energy: 6.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -942.484718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.484718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.853708 (E_RNA)
where:
Base-Base interactions energy: -662.417
where: short stacking energy: -249.107
Base-Backbone interact. energy: -0.135
local terms energy: -286.302175
where:
bonds (distance) C4'-P energy: -64.960
bonds (distance) P-C4' energy: -64.238
flat angles C4'-P-C4' energy: -56.508
flat angles P-C4'-P energy: -46.695
tors. eta vs tors. theta energy: -53.901
Dist. restrs. and SS energy: 6.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -889.569973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.569973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.947587 (E_RNA)
where:
Base-Base interactions energy: -630.994
where: short stacking energy: -252.926
Base-Backbone interact. energy: -1.730
local terms energy: -261.223629
where:
bonds (distance) C4'-P energy: -55.091
bonds (distance) P-C4' energy: -55.328
flat angles C4'-P-C4' energy: -57.586
flat angles P-C4'-P energy: -37.465
tors. eta vs tors. theta energy: -55.754
Dist. restrs. and SS energy: 4.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -838.935832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.935832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.475385 (E_RNA)
where:
Base-Base interactions energy: -590.080
where: short stacking energy: -231.823
Base-Backbone interact. energy: 1.624
local terms energy: -260.019305
where:
bonds (distance) C4'-P energy: -47.655
bonds (distance) P-C4' energy: -58.308
flat angles C4'-P-C4' energy: -59.774
flat angles P-C4'-P energy: -44.633
tors. eta vs tors. theta energy: -49.650
Dist. restrs. and SS energy: 9.540 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -807.518505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.518505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.780169 (E_RNA)
where:
Base-Base interactions energy: -560.012
where: short stacking energy: -220.555
Base-Backbone interact. energy: -1.912
local terms energy: -253.856081
where:
bonds (distance) C4'-P energy: -42.704
bonds (distance) P-C4' energy: -66.072
flat angles C4'-P-C4' energy: -62.881
flat angles P-C4'-P energy: -34.417
tors. eta vs tors. theta energy: -47.783
Dist. restrs. and SS energy: 8.262 (S_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: 162
Temperature: 0.900000
Total energy: -1209.217584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.217584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.786252 (E_RNA)
where:
Base-Base interactions energy: -830.046
where: short stacking energy: -359.993
Base-Backbone interact. energy: -2.611
local terms energy: -380.128958
where:
bonds (distance) C4'-P energy: -59.160
bonds (distance) P-C4' energy: -69.290
flat angles C4'-P-C4' energy: -81.753
flat angles P-C4'-P energy: -57.388
tors. eta vs tors. theta energy: -112.538
Dist. restrs. and SS energy: 3.569 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -1172.630856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.630856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.470027 (E_RNA)
where:
Base-Base interactions energy: -833.037
where: short stacking energy: -342.251
Base-Backbone interact. energy: -2.361
local terms energy: -340.071967
where:
bonds (distance) C4'-P energy: -55.380
bonds (distance) P-C4' energy: -63.075
flat angles C4'-P-C4' energy: -74.608
flat angles P-C4'-P energy: -54.602
tors. eta vs tors. theta energy: -92.407
Dist. restrs. and SS energy: 2.839 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -1111.089664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.089664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.697392 (E_RNA)
where:
Base-Base interactions energy: -761.692
where: short stacking energy: -321.260
Base-Backbone interact. energy: -0.947
local terms energy: -352.057486
where:
bonds (distance) C4'-P energy: -56.560
bonds (distance) P-C4' energy: -69.812
flat angles C4'-P-C4' energy: -76.423
flat angles P-C4'-P energy: -60.904
tors. eta vs tors. theta energy: -88.359
Dist. restrs. and SS energy: 3.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -1087.542214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.542214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.096792 (E_RNA)
where:
Base-Base interactions energy: -763.915
where: short stacking energy: -322.832
Base-Backbone interact. energy: -1.517
local terms energy: -324.665640
where:
bonds (distance) C4'-P energy: -59.313
bonds (distance) P-C4' energy: -73.250
flat angles C4'-P-C4' energy: -62.526
flat angles P-C4'-P energy: -46.774
tors. eta vs tors. theta energy: -82.802
Dist. restrs. and SS energy: 2.555 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -1026.196341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.196341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.288915 (E_RNA)
where:
Base-Base interactions energy: -710.854
where: short stacking energy: -277.504
Base-Backbone interact. energy: -1.172
local terms energy: -318.262794
where:
bonds (distance) C4'-P energy: -63.547
bonds (distance) P-C4' energy: -61.404
flat angles C4'-P-C4' energy: -70.802
flat angles P-C4'-P energy: -48.742
tors. eta vs tors. theta energy: -73.769
Dist. restrs. and SS energy: 4.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -953.665054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.665054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.956558 (E_RNA)
where:
Base-Base interactions energy: -674.454
where: short stacking energy: -280.039
Base-Backbone interact. energy: -0.686
local terms energy: -283.816732
where:
bonds (distance) C4'-P energy: -55.405
bonds (distance) P-C4' energy: -55.088
flat angles C4'-P-C4' energy: -59.124
flat angles P-C4'-P energy: -42.840
tors. eta vs tors. theta energy: -71.360
Dist. restrs. and SS energy: 5.292 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -969.776419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.776419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.090004 (E_RNA)
where:
Base-Base interactions energy: -701.594
where: short stacking energy: -273.854
Base-Backbone interact. energy: -1.876
local terms energy: -270.620556
where:
bonds (distance) C4'-P energy: -51.689
bonds (distance) P-C4' energy: -60.297
flat angles C4'-P-C4' energy: -58.262
flat angles P-C4'-P energy: -31.271
tors. eta vs tors. theta energy: -69.103
Dist. restrs. and SS energy: 4.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -901.923642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.923642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.566014 (E_RNA)
where:
Base-Base interactions energy: -627.221
where: short stacking energy: -242.714
Base-Backbone interact. energy: -0.979
local terms energy: -281.365951
where:
bonds (distance) C4'-P energy: -52.825
bonds (distance) P-C4' energy: -59.890
flat angles C4'-P-C4' energy: -69.318
flat angles P-C4'-P energy: -34.400
tors. eta vs tors. theta energy: -64.933
Dist. restrs. and SS energy: 7.642 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -849.006503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.006503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.019591 (E_RNA)
where:
Base-Base interactions energy: -586.706
where: short stacking energy: -229.430
Base-Backbone interact. energy: -1.315
local terms energy: -265.998263
where:
bonds (distance) C4'-P energy: -58.504
bonds (distance) P-C4' energy: -51.997
flat angles C4'-P-C4' energy: -61.163
flat angles P-C4'-P energy: -38.524
tors. eta vs tors. theta energy: -55.810
Dist. restrs. and SS energy: 5.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -795.418684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.418684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.573370 (E_RNA)
where:
Base-Base interactions energy: -546.443
where: short stacking energy: -203.200
Base-Backbone interact. energy: 1.933
local terms energy: -257.063097
where:
bonds (distance) C4'-P energy: -54.702
bonds (distance) P-C4' energy: -66.662
flat angles C4'-P-C4' energy: -60.320
flat angles P-C4'-P energy: -28.926
tors. eta vs tors. theta energy: -46.454
Dist. restrs. and SS energy: 6.155 (S_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: 163
Temperature: 0.900000
Total energy: -1212.043675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.043675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.859238 (E_RNA)
where:
Base-Base interactions energy: -840.381
where: short stacking energy: -342.812
Base-Backbone interact. energy: -2.421
local terms energy: -372.057811
where:
bonds (distance) C4'-P energy: -68.137
bonds (distance) P-C4' energy: -71.300
flat angles C4'-P-C4' energy: -77.962
flat angles P-C4'-P energy: -53.238
tors. eta vs tors. theta energy: -101.421
Dist. restrs. and SS energy: 2.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -1163.952270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.952270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.237992 (E_RNA)
where:
Base-Base interactions energy: -814.988
where: short stacking energy: -328.801
Base-Backbone interact. energy: -0.758
local terms energy: -351.492322
where:
bonds (distance) C4'-P energy: -65.866
bonds (distance) P-C4' energy: -75.747
flat angles C4'-P-C4' energy: -77.792
flat angles P-C4'-P energy: -46.499
tors. eta vs tors. theta energy: -85.588
Dist. restrs. and SS energy: 3.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -1100.395516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.395516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.316061 (E_RNA)
where:
Base-Base interactions energy: -763.657
where: short stacking energy: -308.862
Base-Backbone interact. energy: -1.584
local terms energy: -339.075802
where:
bonds (distance) C4'-P energy: -60.895
bonds (distance) P-C4' energy: -77.298
flat angles C4'-P-C4' energy: -74.300
flat angles P-C4'-P energy: -50.055
tors. eta vs tors. theta energy: -76.528
Dist. restrs. and SS energy: 3.921 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -1102.146079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.146079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.063717 (E_RNA)
where:
Base-Base interactions energy: -772.373
where: short stacking energy: -307.534
Base-Backbone interact. energy: -0.435
local terms energy: -332.255330
where:
bonds (distance) C4'-P energy: -57.992
bonds (distance) P-C4' energy: -58.999
flat angles C4'-P-C4' energy: -66.544
flat angles P-C4'-P energy: -51.712
tors. eta vs tors. theta energy: -97.009
Dist. restrs. and SS energy: 2.918 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -1036.645456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.645456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.987980 (E_RNA)
where:
Base-Base interactions energy: -726.129
where: short stacking energy: -294.661
Base-Backbone interact. energy: -0.667
local terms energy: -313.191652
where:
bonds (distance) C4'-P energy: -56.290
bonds (distance) P-C4' energy: -56.049
flat angles C4'-P-C4' energy: -78.309
flat angles P-C4'-P energy: -45.260
tors. eta vs tors. theta energy: -77.284
Dist. restrs. and SS energy: 3.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -989.266586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.266586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.400113 (E_RNA)
where:
Base-Base interactions energy: -703.272
where: short stacking energy: -282.296
Base-Backbone interact. energy: -0.593
local terms energy: -289.535126
where:
bonds (distance) C4'-P energy: -44.332
bonds (distance) P-C4' energy: -69.166
flat angles C4'-P-C4' energy: -62.778
flat angles P-C4'-P energy: -45.312
tors. eta vs tors. theta energy: -67.947
Dist. restrs. and SS energy: 4.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -932.130336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.130336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.716061 (E_RNA)
where:
Base-Base interactions energy: -647.970
where: short stacking energy: -261.004
Base-Backbone interact. energy: -0.724
local terms energy: -288.021998
where:
bonds (distance) C4'-P energy: -71.200
bonds (distance) P-C4' energy: -62.201
flat angles C4'-P-C4' energy: -53.027
flat angles P-C4'-P energy: -37.470
tors. eta vs tors. theta energy: -64.124
Dist. restrs. and SS energy: 4.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -882.252099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.252099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.397242 (E_RNA)
where:
Base-Base interactions energy: -601.281
where: short stacking energy: -236.817
Base-Backbone interact. energy: 3.662
local terms energy: -291.778218
where:
bonds (distance) C4'-P energy: -68.230
bonds (distance) P-C4' energy: -55.848
flat angles C4'-P-C4' energy: -75.447
flat angles P-C4'-P energy: -37.031
tors. eta vs tors. theta energy: -55.222
Dist. restrs. and SS energy: 7.145 (S_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: -894.287775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.287775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.038112 (E_RNA)
where:
Base-Base interactions energy: -636.563
where: short stacking energy: -237.260
Base-Backbone interact. energy: 0.158
local terms energy: -262.633613
where:
bonds (distance) C4'-P energy: -55.246
bonds (distance) P-C4' energy: -59.007
flat angles C4'-P-C4' energy: -56.342
flat angles P-C4'-P energy: -33.964
tors. eta vs tors. theta energy: -58.076
Dist. restrs. and SS energy: 4.750 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -818.149977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.149977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.008704 (E_RNA)
where:
Base-Base interactions energy: -559.968
where: short stacking energy: -223.949
Base-Backbone interact. energy: -1.015
local terms energy: -266.024900
where:
bonds (distance) C4'-P energy: -64.182
bonds (distance) P-C4' energy: -52.272
flat angles C4'-P-C4' energy: -58.914
flat angles P-C4'-P energy: -40.502
tors. eta vs tors. theta energy: -50.155
Dist. restrs. and SS energy: 8.859 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -1185.169577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.169577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.451084 (E_RNA)
where:
Base-Base interactions energy: -820.875
where: short stacking energy: -339.696
Base-Backbone interact. energy: -2.943
local terms energy: -364.632298
where:
bonds (distance) C4'-P energy: -69.233
bonds (distance) P-C4' energy: -76.861
flat angles C4'-P-C4' energy: -77.526
flat angles P-C4'-P energy: -50.706
tors. eta vs tors. theta energy: -90.307
Dist. restrs. and SS energy: 3.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -1193.367387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.367387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.788088 (E_RNA)
where:
Base-Base interactions energy: -830.999
where: short stacking energy: -343.190
Base-Backbone interact. energy: -2.507
local terms energy: -364.281906
where:
bonds (distance) C4'-P energy: -58.794
bonds (distance) P-C4' energy: -66.398
flat angles C4'-P-C4' energy: -81.666
flat angles P-C4'-P energy: -49.097
tors. eta vs tors. theta energy: -108.327
Dist. restrs. and SS energy: 4.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -1139.068352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.068352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.828505 (E_RNA)
where:
Base-Base interactions energy: -794.204
where: short stacking energy: -316.523
Base-Backbone interact. energy: -0.675
local terms energy: -347.949057
where:
bonds (distance) C4'-P energy: -65.070
bonds (distance) P-C4' energy: -64.088
flat angles C4'-P-C4' energy: -74.162
flat angles P-C4'-P energy: -51.300
tors. eta vs tors. theta energy: -93.328
Dist. restrs. and SS energy: 3.760 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -1076.419892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.419892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.780943 (E_RNA)
where:
Base-Base interactions energy: -772.467
where: short stacking energy: -310.904
Base-Backbone interact. energy: -2.605
local terms energy: -305.708114
where:
bonds (distance) C4'-P energy: -53.770
bonds (distance) P-C4' energy: -55.198
flat angles C4'-P-C4' energy: -67.347
flat angles P-C4'-P energy: -49.951
tors. eta vs tors. theta energy: -79.442
Dist. restrs. and SS energy: 4.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -1056.342733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.342733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.473835 (E_RNA)
where:
Base-Base interactions energy: -740.495
where: short stacking energy: -318.924
Base-Backbone interact. energy: -0.863
local terms energy: -318.115850
where:
bonds (distance) C4'-P energy: -60.984
bonds (distance) P-C4' energy: -68.483
flat angles C4'-P-C4' energy: -65.814
flat angles P-C4'-P energy: -36.701
tors. eta vs tors. theta energy: -86.134
Dist. restrs. and SS energy: 3.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -963.535823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.535823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.159935 (E_RNA)
where:
Base-Base interactions energy: -680.514
where: short stacking energy: -270.007
Base-Backbone interact. energy: 1.455
local terms energy: -290.101462
where:
bonds (distance) C4'-P energy: -58.737
bonds (distance) P-C4' energy: -67.831
flat angles C4'-P-C4' energy: -71.177
flat angles P-C4'-P energy: -34.067
tors. eta vs tors. theta energy: -58.290
Dist. restrs. and SS energy: 5.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -947.330601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.330601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.322124 (E_RNA)
where:
Base-Base interactions energy: -664.634
where: short stacking energy: -272.683
Base-Backbone interact. energy: -1.888
local terms energy: -286.800056
where:
bonds (distance) C4'-P energy: -54.660
bonds (distance) P-C4' energy: -61.256
flat angles C4'-P-C4' energy: -59.405
flat angles P-C4'-P energy: -42.341
tors. eta vs tors. theta energy: -69.138
Dist. restrs. and SS energy: 5.992 (S_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: 164
Temperature: 1.250000
Total energy: -889.847363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.847363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.716265 (E_RNA)
where:
Base-Base interactions energy: -630.339
where: short stacking energy: -249.603
Base-Backbone interact. energy: 0.262
local terms energy: -265.639023
where:
bonds (distance) C4'-P energy: -57.639
bonds (distance) P-C4' energy: -55.846
flat angles C4'-P-C4' energy: -52.702
flat angles P-C4'-P energy: -37.576
tors. eta vs tors. theta energy: -61.877
Dist. restrs. and SS energy: 5.869 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -877.983904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.983904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.030123 (E_RNA)
where:
Base-Base interactions energy: -605.305
where: short stacking energy: -251.202
Base-Backbone interact. energy: -1.891
local terms energy: -275.834657
where:
bonds (distance) C4'-P energy: -54.138
bonds (distance) P-C4' energy: -55.782
flat angles C4'-P-C4' energy: -68.576
flat angles P-C4'-P energy: -27.748
tors. eta vs tors. theta energy: -69.592
Dist. restrs. and SS energy: 5.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -806.433176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.433176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.095290 (E_RNA)
where:
Base-Base interactions energy: -561.668
where: short stacking energy: -215.097
Base-Backbone interact. energy: -1.782
local terms energy: -247.644960
where:
bonds (distance) C4'-P energy: -55.444
bonds (distance) P-C4' energy: -59.576
flat angles C4'-P-C4' energy: -51.489
flat angles P-C4'-P energy: -32.014
tors. eta vs tors. theta energy: -49.122
Dist. restrs. and SS energy: 4.662 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -1201.046374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.046374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.360904 (E_RNA)
where:
Base-Base interactions energy: -867.794
where: short stacking energy: -356.660
Base-Backbone interact. energy: 1.167
local terms energy: -337.734201
where:
bonds (distance) C4'-P energy: -53.810
bonds (distance) P-C4' energy: -58.669
flat angles C4'-P-C4' energy: -78.803
flat angles P-C4'-P energy: -49.894
tors. eta vs tors. theta energy: -96.559
Dist. restrs. and SS energy: 3.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -1190.612048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.612048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.181922 (E_RNA)
where:
Base-Base interactions energy: -839.266
where: short stacking energy: -344.775
Base-Backbone interact. energy: 0.084
local terms energy: -354.999257
where:
bonds (distance) C4'-P energy: -59.637
bonds (distance) P-C4' energy: -68.508
flat angles C4'-P-C4' energy: -75.279
flat angles P-C4'-P energy: -53.720
tors. eta vs tors. theta energy: -97.855
Dist. restrs. and SS energy: 3.570 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -1133.769240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.769240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.880683 (E_RNA)
where:
Base-Base interactions energy: -789.033
where: short stacking energy: -326.749
Base-Backbone interact. energy: -2.005
local terms energy: -345.842403
where:
bonds (distance) C4'-P energy: -64.452
bonds (distance) P-C4' energy: -57.036
flat angles C4'-P-C4' energy: -76.317
flat angles P-C4'-P energy: -52.813
tors. eta vs tors. theta energy: -95.225
Dist. restrs. and SS energy: 3.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -1100.099291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.099291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.623401 (E_RNA)
where:
Base-Base interactions energy: -783.678
where: short stacking energy: -304.590
Base-Backbone interact. energy: 0.763
local terms energy: -320.707590
where:
bonds (distance) C4'-P energy: -65.184
bonds (distance) P-C4' energy: -59.540
flat angles C4'-P-C4' energy: -70.832
flat angles P-C4'-P energy: -43.393
tors. eta vs tors. theta energy: -81.759
Dist. restrs. and SS energy: 3.524 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -1047.144017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.144017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.073882 (E_RNA)
where:
Base-Base interactions energy: -747.179
where: short stacking energy: -307.568
Base-Backbone interact. energy: -1.317
local terms energy: -302.577246
where:
bonds (distance) C4'-P energy: -48.917
bonds (distance) P-C4' energy: -62.182
flat angles C4'-P-C4' energy: -71.163
flat angles P-C4'-P energy: -45.370
tors. eta vs tors. theta energy: -74.944
Dist. restrs. and SS energy: 3.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -976.096839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.096839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.201454 (E_RNA)
where:
Base-Base interactions energy: -668.770
where: short stacking energy: -276.144
Base-Backbone interact. energy: -3.894
local terms energy: -307.537272
where:
bonds (distance) C4'-P energy: -63.338
bonds (distance) P-C4' energy: -62.529
flat angles C4'-P-C4' energy: -76.631
flat angles P-C4'-P energy: -35.665
tors. eta vs tors. theta energy: -69.374
Dist. restrs. and SS energy: 4.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -951.511218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.511218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.413636 (E_RNA)
where:
Base-Base interactions energy: -681.099
where: short stacking energy: -259.581
Base-Backbone interact. energy: 3.990
local terms energy: -278.304773
where:
bonds (distance) C4'-P energy: -53.438
bonds (distance) P-C4' energy: -62.902
flat angles C4'-P-C4' energy: -58.230
flat angles P-C4'-P energy: -36.768
tors. eta vs tors. theta energy: -66.966
Dist. restrs. and SS energy: 3.902 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -875.795795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.795795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.683458 (E_RNA)
where:
Base-Base interactions energy: -607.886
where: short stacking energy: -229.693
Base-Backbone interact. energy: -2.191
local terms energy: -275.607055
where:
bonds (distance) C4'-P energy: -59.248
bonds (distance) P-C4' energy: -48.858
flat angles C4'-P-C4' energy: -68.498
flat angles P-C4'-P energy: -40.730
tors. eta vs tors. theta energy: -58.274
Dist. restrs. and SS energy: 9.888 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -874.517227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.517227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.532602 (E_RNA)
where:
Base-Base interactions energy: -620.068
where: short stacking energy: -240.553
Base-Backbone interact. energy: 2.817
local terms energy: -266.281544
where:
bonds (distance) C4'-P energy: -66.819
bonds (distance) P-C4' energy: -52.207
flat angles C4'-P-C4' energy: -72.851
flat angles P-C4'-P energy: -15.755
tors. eta vs tors. theta energy: -58.650
Dist. restrs. and SS energy: 9.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -803.879205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.879205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.323957 (E_RNA)
where:
Base-Base interactions energy: -596.943
where: short stacking energy: -224.180
Base-Backbone interact. energy: 0.201
local terms energy: -212.581665
where:
bonds (distance) C4'-P energy: -42.437
bonds (distance) P-C4' energy: -58.386
flat angles C4'-P-C4' energy: -41.884
flat angles P-C4'-P energy: -28.754
tors. eta vs tors. theta energy: -41.120
Dist. restrs. and SS energy: 5.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -1207.734387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.734387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.874925 (E_RNA)
where:
Base-Base interactions energy: -859.089
where: short stacking energy: -345.846
Base-Backbone interact. energy: -1.690
local terms energy: -350.095713
where:
bonds (distance) C4'-P energy: -70.043
bonds (distance) P-C4' energy: -67.644
flat angles C4'-P-C4' energy: -68.605
flat angles P-C4'-P energy: -51.310
tors. eta vs tors. theta energy: -92.493
Dist. restrs. and SS energy: 3.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -1195.479189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.479189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.251159 (E_RNA)
where:
Base-Base interactions energy: -828.466
where: short stacking energy: -357.221
Base-Backbone interact. energy: -2.701
local terms energy: -369.083654
where:
bonds (distance) C4'-P energy: -71.639
bonds (distance) P-C4' energy: -66.911
flat angles C4'-P-C4' energy: -79.759
flat angles P-C4'-P energy: -51.172
tors. eta vs tors. theta energy: -99.603
Dist. restrs. and SS energy: 4.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -1139.683636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.683636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.574570 (E_RNA)
where:
Base-Base interactions energy: -795.557
where: short stacking energy: -317.029
Base-Backbone interact. energy: -1.705
local terms energy: -346.312027
where:
bonds (distance) C4'-P energy: -63.011
bonds (distance) P-C4' energy: -61.942
flat angles C4'-P-C4' energy: -73.184
flat angles P-C4'-P energy: -56.985
tors. eta vs tors. theta energy: -91.189
Dist. restrs. and SS energy: 3.891 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -1084.792943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.792943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.523730 (E_RNA)
where:
Base-Base interactions energy: -755.607
where: short stacking energy: -304.934
Base-Backbone interact. energy: -1.891
local terms energy: -330.025910
where:
bonds (distance) C4'-P energy: -64.751
bonds (distance) P-C4' energy: -59.811
flat angles C4'-P-C4' energy: -70.638
flat angles P-C4'-P energy: -53.649
tors. eta vs tors. theta energy: -81.176
Dist. restrs. and SS energy: 2.731 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -1068.758599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.758599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.498256 (E_RNA)
where:
Base-Base interactions energy: -763.685
where: short stacking energy: -294.934
Base-Backbone interact. energy: -3.732
local terms energy: -306.080623
where:
bonds (distance) C4'-P energy: -58.834
bonds (distance) P-C4' energy: -51.312
flat angles C4'-P-C4' energy: -65.531
flat angles P-C4'-P energy: -47.117
tors. eta vs tors. theta energy: -83.287
Dist. restrs. and SS energy: 4.740 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -962.129687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.129687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.777988 (E_RNA)
where:
Base-Base interactions energy: -688.084
where: short stacking energy: -268.331
Base-Backbone interact. energy: -0.867
local terms energy: -277.826727
where:
bonds (distance) C4'-P energy: -52.079
bonds (distance) P-C4' energy: -60.833
flat angles C4'-P-C4' energy: -67.394
flat angles P-C4'-P energy: -35.525
tors. eta vs tors. theta energy: -61.995
Dist. restrs. and SS energy: 4.648 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -933.176953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.176953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.559345 (E_RNA)
where:
Base-Base interactions energy: -656.063
where: short stacking energy: -274.730
Base-Backbone interact. energy: -0.228
local terms energy: -283.268524
where:
bonds (distance) C4'-P energy: -55.093
bonds (distance) P-C4' energy: -53.162
flat angles C4'-P-C4' energy: -60.631
flat angles P-C4'-P energy: -46.311
tors. eta vs tors. theta energy: -68.071
Dist. restrs. and SS energy: 6.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -895.385205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.385205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.435484 (E_RNA)
where:
Base-Base interactions energy: -625.102
where: short stacking energy: -244.403
Base-Backbone interact. energy: 0.107
local terms energy: -278.440991
where:
bonds (distance) C4'-P energy: -59.627
bonds (distance) P-C4' energy: -56.862
flat angles C4'-P-C4' energy: -72.518
flat angles P-C4'-P energy: -28.150
tors. eta vs tors. theta energy: -61.284
Dist. restrs. and SS energy: 8.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -815.313635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.313635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.091522 (E_RNA)
where:
Base-Base interactions energy: -586.236
where: short stacking energy: -238.337
Base-Backbone interact. energy: 1.260
local terms energy: -242.115506
where:
bonds (distance) C4'-P energy: -42.083
bonds (distance) P-C4' energy: -60.564
flat angles C4'-P-C4' energy: -50.883
flat angles P-C4'-P energy: -27.453
tors. eta vs tors. theta energy: -61.133
Dist. restrs. and SS energy: 11.778 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -795.315792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.315792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.679896 (E_RNA)
where:
Base-Base interactions energy: -544.485
where: short stacking energy: -212.388
Base-Backbone interact. energy: -0.047
local terms energy: -266.147640
where:
bonds (distance) C4'-P energy: -56.186
bonds (distance) P-C4' energy: -56.765
flat angles C4'-P-C4' energy: -65.431
flat angles P-C4'-P energy: -35.285
tors. eta vs tors. theta energy: -52.482
Dist. restrs. and SS energy: 15.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -1177.327771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.327771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.323249 (E_RNA)
where:
Base-Base interactions energy: -821.382
where: short stacking energy: -330.226
Base-Backbone interact. energy: -3.054
local terms energy: -355.887472
where:
bonds (distance) C4'-P energy: -66.661
bonds (distance) P-C4' energy: -75.156
flat angles C4'-P-C4' energy: -76.541
flat angles P-C4'-P energy: -55.998
tors. eta vs tors. theta energy: -81.531
Dist. restrs. and SS energy: 2.995 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -1181.361955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.361955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.208600 (E_RNA)
where:
Base-Base interactions energy: -825.713
where: short stacking energy: -337.574
Base-Backbone interact. energy: -2.015
local terms energy: -356.480639
where:
bonds (distance) C4'-P energy: -72.264
bonds (distance) P-C4' energy: -62.041
flat angles C4'-P-C4' energy: -76.125
flat angles P-C4'-P energy: -52.342
tors. eta vs tors. theta energy: -93.708
Dist. restrs. and SS energy: 2.847 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -1169.306765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.306765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.838916 (E_RNA)
where:
Base-Base interactions energy: -812.513
where: short stacking energy: -337.156
Base-Backbone interact. energy: -0.860
local terms energy: -360.465710
where:
bonds (distance) C4'-P energy: -58.077
bonds (distance) P-C4' energy: -72.307
flat angles C4'-P-C4' energy: -78.972
flat angles P-C4'-P energy: -50.359
tors. eta vs tors. theta energy: -100.751
Dist. restrs. and SS energy: 4.532 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -1084.587696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.587696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.671050 (E_RNA)
where:
Base-Base interactions energy: -770.648
where: short stacking energy: -314.861
Base-Backbone interact. energy: -1.469
local terms energy: -316.553203
where:
bonds (distance) C4'-P energy: -57.644
bonds (distance) P-C4' energy: -64.308
flat angles C4'-P-C4' energy: -60.323
flat angles P-C4'-P energy: -49.930
tors. eta vs tors. theta energy: -84.348
Dist. restrs. and SS energy: 4.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -1039.139254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.139254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.004445 (E_RNA)
where:
Base-Base interactions energy: -719.539
where: short stacking energy: -279.152
Base-Backbone interact. energy: -5.398
local terms energy: -317.067189
where:
bonds (distance) C4'-P energy: -66.097
bonds (distance) P-C4' energy: -65.534
flat angles C4'-P-C4' energy: -66.743
flat angles P-C4'-P energy: -37.678
tors. eta vs tors. theta energy: -81.015
Dist. restrs. and SS energy: 2.865 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -978.876152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.876152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.250190 (E_RNA)
where:
Base-Base interactions energy: -668.498
where: short stacking energy: -276.597
Base-Backbone interact. energy: -2.249
local terms energy: -318.503211
where:
bonds (distance) C4'-P energy: -64.242
bonds (distance) P-C4' energy: -66.376
flat angles C4'-P-C4' energy: -68.344
flat angles P-C4'-P energy: -49.270
tors. eta vs tors. theta energy: -70.270
Dist. restrs. and SS energy: 10.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -937.590456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.590456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.151337 (E_RNA)
where:
Base-Base interactions energy: -676.225
where: short stacking energy: -270.800
Base-Backbone interact. energy: 0.228
local terms energy: -269.154976
where:
bonds (distance) C4'-P energy: -31.423
bonds (distance) P-C4' energy: -57.740
flat angles C4'-P-C4' energy: -67.575
flat angles P-C4'-P energy: -41.987
tors. eta vs tors. theta energy: -70.430
Dist. restrs. and SS energy: 7.561 (S_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: 167
Temperature: 1.250000
Total energy: -894.385993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.385993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.179029 (E_RNA)
where:
Base-Base interactions energy: -623.941
where: short stacking energy: -252.229
Base-Backbone interact. energy: 0.054
local terms energy: -276.292169
where:
bonds (distance) C4'-P energy: -51.321
bonds (distance) P-C4' energy: -61.247
flat angles C4'-P-C4' energy: -62.204
flat angles P-C4'-P energy: -38.063
tors. eta vs tors. theta energy: -63.457
Dist. restrs. and SS energy: 5.793 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -877.845882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.845882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.914321 (E_RNA)
where:
Base-Base interactions energy: -625.799
where: short stacking energy: -242.886
Base-Backbone interact. energy: 1.761
local terms energy: -261.875968
where:
bonds (distance) C4'-P energy: -52.896
bonds (distance) P-C4' energy: -60.859
flat angles C4'-P-C4' energy: -48.027
flat angles P-C4'-P energy: -36.422
tors. eta vs tors. theta energy: -63.673
Dist. restrs. and SS energy: 8.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -861.752361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.752361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.561800 (E_RNA)
where:
Base-Base interactions energy: -609.056
where: short stacking energy: -236.863
Base-Backbone interact. energy: 0.437
local terms energy: -258.943245
where:
bonds (distance) C4'-P energy: -50.619
bonds (distance) P-C4' energy: -56.209
flat angles C4'-P-C4' energy: -58.136
flat angles P-C4'-P energy: -35.788
tors. eta vs tors. theta energy: -58.192
Dist. restrs. and SS energy: 5.809 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -1203.270555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.270555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.372258 (E_RNA)
where:
Base-Base interactions energy: -836.780
where: short stacking energy: -356.008
Base-Backbone interact. energy: -2.278
local terms energy: -367.313941
where:
bonds (distance) C4'-P energy: -66.701
bonds (distance) P-C4' energy: -73.063
flat angles C4'-P-C4' energy: -75.968
flat angles P-C4'-P energy: -53.040
tors. eta vs tors. theta energy: -98.542
Dist. restrs. and SS energy: 3.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -1184.157202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.157202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.987141 (E_RNA)
where:
Base-Base interactions energy: -819.094
where: short stacking energy: -347.468
Base-Backbone interact. energy: -1.866
local terms energy: -366.026774
where:
bonds (distance) C4'-P energy: -67.845
bonds (distance) P-C4' energy: -66.907
flat angles C4'-P-C4' energy: -77.518
flat angles P-C4'-P energy: -56.416
tors. eta vs tors. theta energy: -97.341
Dist. restrs. and SS energy: 2.830 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -1154.900711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.900711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.611114 (E_RNA)
where:
Base-Base interactions energy: -793.124
where: short stacking energy: -331.272
Base-Backbone interact. energy: -1.067
local terms energy: -366.420275
where:
bonds (distance) C4'-P energy: -65.952
bonds (distance) P-C4' energy: -71.276
flat angles C4'-P-C4' energy: -75.473
flat angles P-C4'-P energy: -55.143
tors. eta vs tors. theta energy: -98.576
Dist. restrs. and SS energy: 5.710 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -1105.544614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.544614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.714919 (E_RNA)
where:
Base-Base interactions energy: -764.530
where: short stacking energy: -325.032
Base-Backbone interact. energy: -0.682
local terms energy: -343.503713
where:
bonds (distance) C4'-P energy: -72.602
bonds (distance) P-C4' energy: -61.158
flat angles C4'-P-C4' energy: -73.986
flat angles P-C4'-P energy: -44.910
tors. eta vs tors. theta energy: -90.848
Dist. restrs. and SS energy: 3.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -1010.446697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.446697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.822167 (E_RNA)
where:
Base-Base interactions energy: -709.748
where: short stacking energy: -288.248
Base-Backbone interact. energy: 1.841
local terms energy: -310.914803
where:
bonds (distance) C4'-P energy: -50.208
bonds (distance) P-C4' energy: -70.293
flat angles C4'-P-C4' energy: -65.350
flat angles P-C4'-P energy: -44.211
tors. eta vs tors. theta energy: -80.853
Dist. restrs. and SS energy: 8.375 (S_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: 168
Temperature: 1.150000
Total energy: -991.644677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.644677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.450745 (E_RNA)
where:
Base-Base interactions energy: -713.917
where: short stacking energy: -271.308
Base-Backbone interact. energy: -3.153
local terms energy: -280.381452
where:
bonds (distance) C4'-P energy: -60.352
bonds (distance) P-C4' energy: -55.331
flat angles C4'-P-C4' energy: -63.571
flat angles P-C4'-P energy: -38.910
tors. eta vs tors. theta energy: -62.218
Dist. restrs. and SS energy: 5.806 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -931.609102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.609102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.445221 (E_RNA)
where:
Base-Base interactions energy: -635.137
where: short stacking energy: -264.138
Base-Backbone interact. energy: -1.835
local terms energy: -299.472524
where:
bonds (distance) C4'-P energy: -51.155
bonds (distance) P-C4' energy: -61.827
flat angles C4'-P-C4' energy: -65.630
flat angles P-C4'-P energy: -46.440
tors. eta vs tors. theta energy: -74.419
Dist. restrs. and SS energy: 4.836 (S_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: 168
Temperature: 1.250000
Total energy: -873.416596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.416596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.081077 (E_RNA)
where:
Base-Base interactions energy: -617.859
where: short stacking energy: -253.395
Base-Backbone interact. energy: 1.573
local terms energy: -262.795318
where:
bonds (distance) C4'-P energy: -48.041
bonds (distance) P-C4' energy: -60.780
flat angles C4'-P-C4' energy: -52.874
flat angles P-C4'-P energy: -43.610
tors. eta vs tors. theta energy: -57.489
Dist. restrs. and SS energy: 5.664 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -893.719150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.719150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.173218 (E_RNA)
where:
Base-Base interactions energy: -631.251
where: short stacking energy: -241.784
Base-Backbone interact. energy: -0.273
local terms energy: -266.649787
where:
bonds (distance) C4'-P energy: -54.353
bonds (distance) P-C4' energy: -54.775
flat angles C4'-P-C4' energy: -62.113
flat angles P-C4'-P energy: -28.084
tors. eta vs tors. theta energy: -67.326
Dist. restrs. and SS energy: 4.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -825.254092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.254092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.996282 (E_RNA)
where:
Base-Base interactions energy: -587.356
where: short stacking energy: -234.018
Base-Backbone interact. energy: -1.034
local terms energy: -249.606492
where:
bonds (distance) C4'-P energy: -45.159
bonds (distance) P-C4' energy: -51.575
flat angles C4'-P-C4' energy: -58.644
flat angles P-C4'-P energy: -39.413
tors. eta vs tors. theta energy: -54.815
Dist. restrs. and SS energy: 12.742 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -1194.891496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.891496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.126716 (E_RNA)
where:
Base-Base interactions energy: -833.020
where: short stacking energy: -327.149
Base-Backbone interact. energy: -2.632
local terms energy: -362.474184
where:
bonds (distance) C4'-P energy: -66.095
bonds (distance) P-C4' energy: -74.323
flat angles C4'-P-C4' energy: -72.670
flat angles P-C4'-P energy: -56.245
tors. eta vs tors. theta energy: -93.141
Dist. restrs. and SS energy: 3.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -1155.175971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.175971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.473702 (E_RNA)
where:
Base-Base interactions energy: -797.901
where: short stacking energy: -331.765
Base-Backbone interact. energy: -2.220
local terms energy: -358.352858
where:
bonds (distance) C4'-P energy: -75.077
bonds (distance) P-C4' energy: -60.830
flat angles C4'-P-C4' energy: -76.669
flat angles P-C4'-P energy: -46.200
tors. eta vs tors. theta energy: -99.577
Dist. restrs. and SS energy: 3.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -1152.432435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.432435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.739270 (E_RNA)
where:
Base-Base interactions energy: -809.206
where: short stacking energy: -336.703
Base-Backbone interact. energy: 0.469
local terms energy: -349.001579
where:
bonds (distance) C4'-P energy: -53.251
bonds (distance) P-C4' energy: -69.373
flat angles C4'-P-C4' energy: -80.306
flat angles P-C4'-P energy: -45.931
tors. eta vs tors. theta energy: -100.142
Dist. restrs. and SS energy: 5.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -1064.757951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.757951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.355221 (E_RNA)
where:
Base-Base interactions energy: -744.096
where: short stacking energy: -311.500
Base-Backbone interact. energy: -0.833
local terms energy: -329.426558
where:
bonds (distance) C4'-P energy: -69.131
bonds (distance) P-C4' energy: -47.109
flat angles C4'-P-C4' energy: -81.455
flat angles P-C4'-P energy: -42.761
tors. eta vs tors. theta energy: -88.971
Dist. restrs. and SS energy: 9.597 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -1025.226351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.226351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.074060 (E_RNA)
where:
Base-Base interactions energy: -722.554
where: short stacking energy: -293.647
Base-Backbone interact. energy: 0.093
local terms energy: -306.612808
where:
bonds (distance) C4'-P energy: -59.262
bonds (distance) P-C4' energy: -57.882
flat angles C4'-P-C4' energy: -67.332
flat angles P-C4'-P energy: -44.272
tors. eta vs tors. theta energy: -77.864
Dist. restrs. and SS energy: 3.848 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -1006.602188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.602188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.012697 (E_RNA)
where:
Base-Base interactions energy: -722.951
where: short stacking energy: -290.547
Base-Backbone interact. energy: -1.599
local terms energy: -286.462732
where:
bonds (distance) C4'-P energy: -60.252
bonds (distance) P-C4' energy: -54.107
flat angles C4'-P-C4' energy: -58.406
flat angles P-C4'-P energy: -40.890
tors. eta vs tors. theta energy: -72.806
Dist. restrs. and SS energy: 4.411 (S_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: 169
Temperature: 1.200000
Total energy: -917.639704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.639704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.917439 (E_RNA)
where:
Base-Base interactions energy: -633.452
where: short stacking energy: -256.772
Base-Backbone interact. energy: 2.169
local terms energy: -291.634987
where:
bonds (distance) C4'-P energy: -63.652
bonds (distance) P-C4' energy: -51.512
flat angles C4'-P-C4' energy: -65.230
flat angles P-C4'-P energy: -42.949
tors. eta vs tors. theta energy: -68.292
Dist. restrs. and SS energy: 5.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -910.781115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.781115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.750919 (E_RNA)
where:
Base-Base interactions energy: -627.348
where: short stacking energy: -244.076
Base-Backbone interact. energy: -1.890
local terms energy: -287.513334
where:
bonds (distance) C4'-P energy: -58.247
bonds (distance) P-C4' energy: -69.026
flat angles C4'-P-C4' energy: -63.820
flat angles P-C4'-P energy: -40.392
tors. eta vs tors. theta energy: -56.029
Dist. restrs. and SS energy: 5.970 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -833.870058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.870058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.204557 (E_RNA)
where:
Base-Base interactions energy: -598.531
where: short stacking energy: -235.611
Base-Backbone interact. energy: 0.852
local terms energy: -241.525524
where:
bonds (distance) C4'-P energy: -52.032
bonds (distance) P-C4' energy: -58.047
flat angles C4'-P-C4' energy: -68.437
flat angles P-C4'-P energy: -23.470
tors. eta vs tors. theta energy: -39.539
Dist. restrs. and SS energy: 5.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -821.112391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.112391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.515890 (E_RNA)
where:
Base-Base interactions energy: -569.043
where: short stacking energy: -222.827
Base-Backbone interact. energy: -1.133
local terms energy: -260.340539
where:
bonds (distance) C4'-P energy: -59.282
bonds (distance) P-C4' energy: -57.750
flat angles C4'-P-C4' energy: -53.139
flat angles P-C4'-P energy: -34.397
tors. eta vs tors. theta energy: -55.773
Dist. restrs. and SS energy: 9.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -1211.455963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.455963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.988254 (E_RNA)
where:
Base-Base interactions energy: -854.918
where: short stacking energy: -336.866
Base-Backbone interact. energy: -3.326
local terms energy: -356.744195
where:
bonds (distance) C4'-P energy: -71.953
bonds (distance) P-C4' energy: -64.525
flat angles C4'-P-C4' energy: -79.836
flat angles P-C4'-P energy: -48.172
tors. eta vs tors. theta energy: -92.258
Dist. restrs. and SS energy: 3.532 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -1151.574715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.574715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.206270 (E_RNA)
where:
Base-Base interactions energy: -791.507
where: short stacking energy: -329.333
Base-Backbone interact. energy: -0.708
local terms energy: -361.990720
where:
bonds (distance) C4'-P energy: -79.674
bonds (distance) P-C4' energy: -61.017
flat angles C4'-P-C4' energy: -68.902
flat angles P-C4'-P energy: -55.183
tors. eta vs tors. theta energy: -97.215
Dist. restrs. and SS energy: 2.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -1183.486936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.486936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.918720 (E_RNA)
where:
Base-Base interactions energy: -833.832
where: short stacking energy: -353.071
Base-Backbone interact. energy: 0.162
local terms energy: -353.248979
where:
bonds (distance) C4'-P energy: -59.749
bonds (distance) P-C4' energy: -60.745
flat angles C4'-P-C4' energy: -80.767
flat angles P-C4'-P energy: -50.385
tors. eta vs tors. theta energy: -101.603
Dist. restrs. and SS energy: 3.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -1062.237187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.237187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.632957 (E_RNA)
where:
Base-Base interactions energy: -742.102
where: short stacking energy: -309.827
Base-Backbone interact. energy: 2.069
local terms energy: -327.600511
where:
bonds (distance) C4'-P energy: -72.083
bonds (distance) P-C4' energy: -62.141
flat angles C4'-P-C4' energy: -63.715
flat angles P-C4'-P energy: -52.527
tors. eta vs tors. theta energy: -77.135
Dist. restrs. and SS energy: 5.396 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -1008.673629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.673629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.991761 (E_RNA)
where:
Base-Base interactions energy: -695.340
where: short stacking energy: -264.668
Base-Backbone interact. energy: -3.406
local terms energy: -314.246037
where:
bonds (distance) C4'-P energy: -64.593
bonds (distance) P-C4' energy: -66.928
flat angles C4'-P-C4' energy: -68.703
flat angles P-C4'-P energy: -45.419
tors. eta vs tors. theta energy: -68.603
Dist. restrs. and SS energy: 4.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -1000.430471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.430471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.338185 (E_RNA)
where:
Base-Base interactions energy: -710.323
where: short stacking energy: -289.950
Base-Backbone interact. energy: 1.051
local terms energy: -297.065746
where:
bonds (distance) C4'-P energy: -54.870
bonds (distance) P-C4' energy: -63.158
flat angles C4'-P-C4' energy: -60.257
flat angles P-C4'-P energy: -41.195
tors. eta vs tors. theta energy: -77.586
Dist. restrs. and SS energy: 5.908 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -920.099173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.099173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.680109 (E_RNA)
where:
Base-Base interactions energy: -639.964
where: short stacking energy: -256.915
Base-Backbone interact. energy: -0.302
local terms energy: -286.414125
where:
bonds (distance) C4'-P energy: -42.197
bonds (distance) P-C4' energy: -59.756
flat angles C4'-P-C4' energy: -67.843
flat angles P-C4'-P energy: -38.896
tors. eta vs tors. theta energy: -77.722
Dist. restrs. and SS energy: 6.581 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -897.141794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.141794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.298715 (E_RNA)
where:
Base-Base interactions energy: -591.088
where: short stacking energy: -246.038
Base-Backbone interact. energy: -1.917
local terms energy: -311.293620
where:
bonds (distance) C4'-P energy: -55.497
bonds (distance) P-C4' energy: -65.034
flat angles C4'-P-C4' energy: -73.137
flat angles P-C4'-P energy: -54.058
tors. eta vs tors. theta energy: -63.567
Dist. restrs. and SS energy: 7.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -815.703712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.703712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.793256 (E_RNA)
where:
Base-Base interactions energy: -575.618
where: short stacking energy: -237.916
Base-Backbone interact. energy: -0.254
local terms energy: -248.921289
where:
bonds (distance) C4'-P energy: -45.765
bonds (distance) P-C4' energy: -53.743
flat angles C4'-P-C4' energy: -52.318
flat angles P-C4'-P energy: -44.768
tors. eta vs tors. theta energy: -52.327
Dist. restrs. and SS energy: 9.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -800.629940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.629940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.328083 (E_RNA)
where:
Base-Base interactions energy: -581.454
where: short stacking energy: -220.277
Base-Backbone interact. energy: -0.519
local terms energy: -226.354773
where:
bonds (distance) C4'-P energy: -43.285
bonds (distance) P-C4' energy: -37.145
flat angles C4'-P-C4' energy: -73.423
flat angles P-C4'-P energy: -26.254
tors. eta vs tors. theta energy: -46.248
Dist. restrs. and SS energy: 7.698 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -1193.606176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.606176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.604485 (E_RNA)
where:
Base-Base interactions energy: -817.583
where: short stacking energy: -335.838
Base-Backbone interact. energy: -2.602
local terms energy: -376.419834
where:
bonds (distance) C4'-P energy: -77.767
bonds (distance) P-C4' energy: -71.563
flat angles C4'-P-C4' energy: -80.121
flat angles P-C4'-P energy: -55.580
tors. eta vs tors. theta energy: -91.389
Dist. restrs. and SS energy: 2.998 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -1146.625192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.625192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.732805 (E_RNA)
where:
Base-Base interactions energy: -796.629
where: short stacking energy: -330.943
Base-Backbone interact. energy: -0.639
local terms energy: -352.465144
where:
bonds (distance) C4'-P energy: -65.613
bonds (distance) P-C4' energy: -72.799
flat angles C4'-P-C4' energy: -71.771
flat angles P-C4'-P energy: -51.000
tors. eta vs tors. theta energy: -91.282
Dist. restrs. and SS energy: 3.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -1151.205758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.205758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.953232 (E_RNA)
where:
Base-Base interactions energy: -803.254
where: short stacking energy: -336.762
Base-Backbone interact. energy: -3.318
local terms energy: -350.381110
where:
bonds (distance) C4'-P energy: -63.146
bonds (distance) P-C4' energy: -65.856
flat angles C4'-P-C4' energy: -69.946
flat angles P-C4'-P energy: -51.111
tors. eta vs tors. theta energy: -100.323
Dist. restrs. and SS energy: 5.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -1024.723609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.723609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.237535 (E_RNA)
where:
Base-Base interactions energy: -711.198
where: short stacking energy: -289.454
Base-Backbone interact. energy: -0.061
local terms energy: -319.977556
where:
bonds (distance) C4'-P energy: -67.331
bonds (distance) P-C4' energy: -52.072
flat angles C4'-P-C4' energy: -68.843
flat angles P-C4'-P energy: -45.320
tors. eta vs tors. theta energy: -86.411
Dist. restrs. and SS energy: 6.514 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -1027.907673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.907673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.093475 (E_RNA)
where:
Base-Base interactions energy: -725.704
where: short stacking energy: -278.381
Base-Backbone interact. energy: -1.188
local terms energy: -305.201269
where:
bonds (distance) C4'-P energy: -60.452
bonds (distance) P-C4' energy: -69.692
flat angles C4'-P-C4' energy: -73.542
flat angles P-C4'-P energy: -22.157
tors. eta vs tors. theta energy: -79.359
Dist. restrs. and SS energy: 4.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -983.141150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.141150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.393767 (E_RNA)
where:
Base-Base interactions energy: -684.665
where: short stacking energy: -278.922
Base-Backbone interact. energy: -0.175
local terms energy: -303.553921
where:
bonds (distance) C4'-P energy: -49.732
bonds (distance) P-C4' energy: -69.717
flat angles C4'-P-C4' energy: -71.285
flat angles P-C4'-P energy: -41.915
tors. eta vs tors. theta energy: -70.905
Dist. restrs. and SS energy: 5.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -911.324490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.324490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.189658 (E_RNA)
where:
Base-Base interactions energy: -648.570
where: short stacking energy: -239.242
Base-Backbone interact. energy: -3.220
local terms energy: -268.400516
where:
bonds (distance) C4'-P energy: -55.570
bonds (distance) P-C4' energy: -45.084
flat angles C4'-P-C4' energy: -66.490
flat angles P-C4'-P energy: -44.863
tors. eta vs tors. theta energy: -56.394
Dist. restrs. and SS energy: 8.865 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -892.878602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.878602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.729830 (E_RNA)
where:
Base-Base interactions energy: -641.831
where: short stacking energy: -252.012
Base-Backbone interact. energy: -2.252
local terms energy: -258.646691
where:
bonds (distance) C4'-P energy: -51.236
bonds (distance) P-C4' energy: -60.942
flat angles C4'-P-C4' energy: -58.159
flat angles P-C4'-P energy: -30.415
tors. eta vs tors. theta energy: -57.894
Dist. restrs. and SS energy: 9.851 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -887.676289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.676289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.001786 (E_RNA)
where:
Base-Base interactions energy: -642.152
where: short stacking energy: -246.838
Base-Backbone interact. energy: -1.327
local terms energy: -254.522819
where:
bonds (distance) C4'-P energy: -45.034
bonds (distance) P-C4' energy: -54.113
flat angles C4'-P-C4' energy: -57.502
flat angles P-C4'-P energy: -45.396
tors. eta vs tors. theta energy: -52.479
Dist. restrs. and SS energy: 10.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -825.904292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.904292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.912622 (E_RNA)
where:
Base-Base interactions energy: -586.150
where: short stacking energy: -235.456
Base-Backbone interact. energy: 3.951
local terms energy: -252.713919
where:
bonds (distance) C4'-P energy: -46.960
bonds (distance) P-C4' energy: -56.159
flat angles C4'-P-C4' energy: -58.514
flat angles P-C4'-P energy: -44.382
tors. eta vs tors. theta energy: -46.699
Dist. restrs. and SS energy: 9.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -1197.119211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.119211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.722471 (E_RNA)
where:
Base-Base interactions energy: -837.856
where: short stacking energy: -328.453
Base-Backbone interact. energy: -2.728
local terms energy: -360.138232
where:
bonds (distance) C4'-P energy: -65.193
bonds (distance) P-C4' energy: -73.993
flat angles C4'-P-C4' energy: -84.348
flat angles P-C4'-P energy: -49.334
tors. eta vs tors. theta energy: -87.271
Dist. restrs. and SS energy: 3.603 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -1123.646988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.646988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.432447 (E_RNA)
where:
Base-Base interactions energy: -792.883
where: short stacking energy: -320.366
Base-Backbone interact. energy: -2.494
local terms energy: -334.055814
where:
bonds (distance) C4'-P energy: -52.258
bonds (distance) P-C4' energy: -67.198
flat angles C4'-P-C4' energy: -70.533
flat angles P-C4'-P energy: -49.329
tors. eta vs tors. theta energy: -94.738
Dist. restrs. and SS energy: 5.785 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -1138.503756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.503756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.510286 (E_RNA)
where:
Base-Base interactions energy: -793.175
where: short stacking energy: -312.103
Base-Backbone interact. energy: -0.635
local terms energy: -349.700838
where:
bonds (distance) C4'-P energy: -74.545
bonds (distance) P-C4' energy: -67.997
flat angles C4'-P-C4' energy: -74.595
flat angles P-C4'-P energy: -43.854
tors. eta vs tors. theta energy: -88.711
Dist. restrs. and SS energy: 5.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -1024.125751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.125751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.314425 (E_RNA)
where:
Base-Base interactions energy: -716.978
where: short stacking energy: -274.410
Base-Backbone interact. energy: -1.520
local terms energy: -310.816812
where:
bonds (distance) C4'-P energy: -59.264
bonds (distance) P-C4' energy: -66.362
flat angles C4'-P-C4' energy: -63.609
flat angles P-C4'-P energy: -50.728
tors. eta vs tors. theta energy: -70.853
Dist. restrs. and SS energy: 5.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -1024.447683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.447683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.595141 (E_RNA)
where:
Base-Base interactions energy: -718.461
where: short stacking energy: -255.839
Base-Backbone interact. energy: -1.031
local terms energy: -309.103557
where:
bonds (distance) C4'-P energy: -59.066
bonds (distance) P-C4' energy: -75.208
flat angles C4'-P-C4' energy: -64.023
flat angles P-C4'-P energy: -35.764
tors. eta vs tors. theta energy: -75.042
Dist. restrs. and SS energy: 4.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -1007.477327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.477327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.617747 (E_RNA)
where:
Base-Base interactions energy: -718.248
where: short stacking energy: -281.452
Base-Backbone interact. energy: -2.444
local terms energy: -289.925656
where:
bonds (distance) C4'-P energy: -46.733
bonds (distance) P-C4' energy: -63.301
flat angles C4'-P-C4' energy: -52.996
flat angles P-C4'-P energy: -47.537
tors. eta vs tors. theta energy: -79.359
Dist. restrs. and SS energy: 3.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -873.850633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.850633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.557934 (E_RNA)
where:
Base-Base interactions energy: -618.710
where: short stacking energy: -231.867
Base-Backbone interact. energy: -0.323
local terms energy: -260.524513
where:
bonds (distance) C4'-P energy: -52.085
bonds (distance) P-C4' energy: -52.678
flat angles C4'-P-C4' energy: -61.083
flat angles P-C4'-P energy: -41.510
tors. eta vs tors. theta energy: -53.168
Dist. restrs. and SS energy: 5.707 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -925.912684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.912684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.985412 (E_RNA)
where:
Base-Base interactions energy: -644.490
where: short stacking energy: -266.454
Base-Backbone interact. energy: 0.758
local terms energy: -292.253208
where:
bonds (distance) C4'-P energy: -48.634
bonds (distance) P-C4' energy: -65.208
flat angles C4'-P-C4' energy: -64.207
flat angles P-C4'-P energy: -37.336
tors. eta vs tors. theta energy: -76.870
Dist. restrs. and SS energy: 10.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -897.182045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.182045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.772844 (E_RNA)
where:
Base-Base interactions energy: -639.515
where: short stacking energy: -251.967
Base-Backbone interact. energy: -1.198
local terms energy: -264.059761
where:
bonds (distance) C4'-P energy: -44.400
bonds (distance) P-C4' energy: -58.678
flat angles C4'-P-C4' energy: -65.319
flat angles P-C4'-P energy: -27.536
tors. eta vs tors. theta energy: -68.127
Dist. restrs. and SS energy: 7.591 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -787.664657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.664657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.234103 (E_RNA)
where:
Base-Base interactions energy: -553.642
where: short stacking energy: -217.624
Base-Backbone interact. energy: -1.185
local terms energy: -248.407362
where:
bonds (distance) C4'-P energy: -49.134
bonds (distance) P-C4' energy: -57.218
flat angles C4'-P-C4' energy: -50.585
flat angles P-C4'-P energy: -39.887
tors. eta vs tors. theta energy: -51.583
Dist. restrs. and SS energy: 15.569 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -1183.175939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.175939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.120616 (E_RNA)
where:
Base-Base interactions energy: -816.059
where: short stacking energy: -332.654
Base-Backbone interact. energy: -2.029
local terms energy: -368.033062
where:
bonds (distance) C4'-P energy: -70.251
bonds (distance) P-C4' energy: -77.835
flat angles C4'-P-C4' energy: -71.753
flat angles P-C4'-P energy: -58.039
tors. eta vs tors. theta energy: -90.155
Dist. restrs. and SS energy: 2.945 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -1150.467624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.467624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.858853 (E_RNA)
where:
Base-Base interactions energy: -815.969
where: short stacking energy: -331.608
Base-Backbone interact. energy: -1.975
local terms energy: -335.915442
where:
bonds (distance) C4'-P energy: -64.759
bonds (distance) P-C4' energy: -71.817
flat angles C4'-P-C4' energy: -66.880
flat angles P-C4'-P energy: -44.877
tors. eta vs tors. theta energy: -87.583
Dist. restrs. and SS energy: 3.391 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -1134.808782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.808782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.668152 (E_RNA)
where:
Base-Base interactions energy: -780.454
where: short stacking energy: -318.216
Base-Backbone interact. energy: -2.052
local terms energy: -355.162097
where:
bonds (distance) C4'-P energy: -64.605
bonds (distance) P-C4' energy: -69.047
flat angles C4'-P-C4' energy: -78.545
flat angles P-C4'-P energy: -48.662
tors. eta vs tors. theta energy: -94.303
Dist. restrs. and SS energy: 2.859 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -1070.665499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.665499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.349834 (E_RNA)
where:
Base-Base interactions energy: -727.869
where: short stacking energy: -293.248
Base-Backbone interact. energy: -2.799
local terms energy: -344.681543
where:
bonds (distance) C4'-P energy: -70.632
bonds (distance) P-C4' energy: -68.452
flat angles C4'-P-C4' energy: -73.280
flat angles P-C4'-P energy: -45.842
tors. eta vs tors. theta energy: -86.475
Dist. restrs. and SS energy: 4.684 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -990.761119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.761119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.215314 (E_RNA)
where:
Base-Base interactions energy: -714.136
where: short stacking energy: -269.667
Base-Backbone interact. energy: 1.035
local terms energy: -289.114357
where:
bonds (distance) C4'-P energy: -56.065
bonds (distance) P-C4' energy: -62.586
flat angles C4'-P-C4' energy: -63.221
flat angles P-C4'-P energy: -40.948
tors. eta vs tors. theta energy: -66.294
Dist. restrs. and SS energy: 11.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -997.335076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.335076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.298730 (E_RNA)
where:
Base-Base interactions energy: -701.178
where: short stacking energy: -269.277
Base-Backbone interact. energy: -4.984
local terms energy: -294.136325
where:
bonds (distance) C4'-P energy: -57.873
bonds (distance) P-C4' energy: -58.477
flat angles C4'-P-C4' energy: -75.689
flat angles P-C4'-P energy: -39.902
tors. eta vs tors. theta energy: -62.196
Dist. restrs. and SS energy: 2.964 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -907.767640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.767640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.581652 (E_RNA)
where:
Base-Base interactions energy: -638.604
where: short stacking energy: -258.149
Base-Backbone interact. energy: -0.461
local terms energy: -277.516741
where:
bonds (distance) C4'-P energy: -49.136
bonds (distance) P-C4' energy: -59.073
flat angles C4'-P-C4' energy: -67.281
flat angles P-C4'-P energy: -40.067
tors. eta vs tors. theta energy: -61.959
Dist. restrs. and SS energy: 8.814 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -908.244588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.244588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.715542 (E_RNA)
where:
Base-Base interactions energy: -651.270
where: short stacking energy: -240.808
Base-Backbone interact. energy: 0.423
local terms energy: -261.869264
where:
bonds (distance) C4'-P energy: -54.408
bonds (distance) P-C4' energy: -54.768
flat angles C4'-P-C4' energy: -58.781
flat angles P-C4'-P energy: -44.562
tors. eta vs tors. theta energy: -49.350
Dist. restrs. and SS energy: 4.471 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -862.289358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.289358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.686930 (E_RNA)
where:
Base-Base interactions energy: -596.460
where: short stacking energy: -222.610
Base-Backbone interact. energy: -2.404
local terms energy: -269.823378
where:
bonds (distance) C4'-P energy: -51.739
bonds (distance) P-C4' energy: -60.814
flat angles C4'-P-C4' energy: -60.670
flat angles P-C4'-P energy: -43.899
tors. eta vs tors. theta energy: -52.700
Dist. restrs. and SS energy: 6.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -792.566578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.566578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.007659 (E_RNA)
where:
Base-Base interactions energy: -558.185
where: short stacking energy: -212.119
Base-Backbone interact. energy: 1.208
local terms energy: -243.030945
where:
bonds (distance) C4'-P energy: -46.064
bonds (distance) P-C4' energy: -49.130
flat angles C4'-P-C4' energy: -59.030
flat angles P-C4'-P energy: -42.334
tors. eta vs tors. theta energy: -46.473
Dist. restrs. and SS energy: 7.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -1203.575374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.575374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.752384 (E_RNA)
where:
Base-Base interactions energy: -837.848
where: short stacking energy: -360.883
Base-Backbone interact. energy: -1.111
local terms energy: -367.793155
where:
bonds (distance) C4'-P energy: -64.763
bonds (distance) P-C4' energy: -63.144
flat angles C4'-P-C4' energy: -77.926
flat angles P-C4'-P energy: -54.800
tors. eta vs tors. theta energy: -107.160
Dist. restrs. and SS energy: 3.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -1165.574449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.574449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.737171 (E_RNA)
where:
Base-Base interactions energy: -827.000
where: short stacking energy: -311.118
Base-Backbone interact. energy: -4.394
local terms energy: -337.343803
where:
bonds (distance) C4'-P energy: -63.983
bonds (distance) P-C4' energy: -64.863
flat angles C4'-P-C4' energy: -67.860
flat angles P-C4'-P energy: -57.007
tors. eta vs tors. theta energy: -83.630
Dist. restrs. and SS energy: 3.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -1144.520501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.520501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.810997 (E_RNA)
where:
Base-Base interactions energy: -781.061
where: short stacking energy: -327.292
Base-Backbone interact. energy: -1.306
local terms energy: -365.443936
where:
bonds (distance) C4'-P energy: -78.258
bonds (distance) P-C4' energy: -68.430
flat angles C4'-P-C4' energy: -73.088
flat angles P-C4'-P energy: -50.898
tors. eta vs tors. theta energy: -94.770
Dist. restrs. and SS energy: 3.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -1073.788916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.788916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.834174 (E_RNA)
where:
Base-Base interactions energy: -757.029
where: short stacking energy: -299.579
Base-Backbone interact. energy: 3.903
local terms energy: -324.708256
where:
bonds (distance) C4'-P energy: -57.275
bonds (distance) P-C4' energy: -66.672
flat angles C4'-P-C4' energy: -73.047
flat angles P-C4'-P energy: -45.718
tors. eta vs tors. theta energy: -81.995
Dist. restrs. and SS energy: 4.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -1034.860433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.860433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.745874 (E_RNA)
where:
Base-Base interactions energy: -711.898
where: short stacking energy: -283.732
Base-Backbone interact. energy: -4.872
local terms energy: -321.976055
where:
bonds (distance) C4'-P energy: -59.586
bonds (distance) P-C4' energy: -65.470
flat angles C4'-P-C4' energy: -70.911
flat angles P-C4'-P energy: -44.630
tors. eta vs tors. theta energy: -81.380
Dist. restrs. and SS energy: 3.885 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -957.272480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.272480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.326859 (E_RNA)
where:
Base-Base interactions energy: -667.828
where: short stacking energy: -270.812
Base-Backbone interact. energy: 2.975
local terms energy: -302.474081
where:
bonds (distance) C4'-P energy: -66.069
bonds (distance) P-C4' energy: -63.099
flat angles C4'-P-C4' energy: -67.612
flat angles P-C4'-P energy: -40.707
tors. eta vs tors. theta energy: -64.986
Dist. restrs. and SS energy: 10.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -934.923359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.923359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.701269 (E_RNA)
where:
Base-Base interactions energy: -672.652
where: short stacking energy: -270.754
Base-Backbone interact. energy: -1.994
local terms energy: -264.054458
where:
bonds (distance) C4'-P energy: -63.608
bonds (distance) P-C4' energy: -47.928
flat angles C4'-P-C4' energy: -61.952
flat angles P-C4'-P energy: -27.297
tors. eta vs tors. theta energy: -63.269
Dist. restrs. and SS energy: 3.778 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -895.063706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.063706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.030052 (E_RNA)
where:
Base-Base interactions energy: -632.925
where: short stacking energy: -245.568
Base-Backbone interact. energy: 1.791
local terms energy: -269.895914
where:
bonds (distance) C4'-P energy: -55.316
bonds (distance) P-C4' energy: -61.528
flat angles C4'-P-C4' energy: -57.254
flat angles P-C4'-P energy: -34.364
tors. eta vs tors. theta energy: -61.433
Dist. restrs. and SS energy: 5.966 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -860.776677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.776677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.069880 (E_RNA)
where:
Base-Base interactions energy: -593.993
where: short stacking energy: -248.725
Base-Backbone interact. energy: -0.956
local terms energy: -274.120793
where:
bonds (distance) C4'-P energy: -63.925
bonds (distance) P-C4' energy: -53.141
flat angles C4'-P-C4' energy: -60.924
flat angles P-C4'-P energy: -34.178
tors. eta vs tors. theta energy: -61.953
Dist. restrs. and SS energy: 8.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -798.021430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.021430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.894965 (E_RNA)
where:
Base-Base interactions energy: -569.303
where: short stacking energy: -216.253
Base-Backbone interact. energy: 0.885
local terms energy: -241.476238
where:
bonds (distance) C4'-P energy: -52.759
bonds (distance) P-C4' energy: -61.210
flat angles C4'-P-C4' energy: -56.929
flat angles P-C4'-P energy: -32.775
tors. eta vs tors. theta energy: -37.804
Dist. restrs. and SS energy: 11.874 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -1200.673951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.673951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.743067 (E_RNA)
where:
Base-Base interactions energy: -840.444
where: short stacking energy: -356.120
Base-Backbone interact. energy: -1.702
local terms energy: -366.596776
where:
bonds (distance) C4'-P energy: -69.714
bonds (distance) P-C4' energy: -67.032
flat angles C4'-P-C4' energy: -74.102
flat angles P-C4'-P energy: -54.380
tors. eta vs tors. theta energy: -101.369
Dist. restrs. and SS energy: 8.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -1192.612601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.612601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.513870 (E_RNA)
where:
Base-Base interactions energy: -837.428
where: short stacking energy: -333.431
Base-Backbone interact. energy: -3.296
local terms energy: -354.789182
where:
bonds (distance) C4'-P energy: -66.778
bonds (distance) P-C4' energy: -72.552
flat angles C4'-P-C4' energy: -70.500
flat angles P-C4'-P energy: -48.456
tors. eta vs tors. theta energy: -96.503
Dist. restrs. and SS energy: 2.901 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -1089.574669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.574669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.877999 (E_RNA)
where:
Base-Base interactions energy: -755.023
where: short stacking energy: -333.382
Base-Backbone interact. energy: -0.354
local terms energy: -339.501029
where:
bonds (distance) C4'-P energy: -65.269
bonds (distance) P-C4' energy: -69.400
flat angles C4'-P-C4' energy: -65.552
flat angles P-C4'-P energy: -40.721
tors. eta vs tors. theta energy: -98.559
Dist. restrs. and SS energy: 5.303 (S_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: 175
Temperature: 1.050000
Total energy: -1094.799798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.799798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.544133 (E_RNA)
where:
Base-Base interactions energy: -765.563
where: short stacking energy: -297.596
Base-Backbone interact. energy: 0.203
local terms energy: -332.184019
where:
bonds (distance) C4'-P energy: -57.258
bonds (distance) P-C4' energy: -69.137
flat angles C4'-P-C4' energy: -68.037
flat angles P-C4'-P energy: -57.100
tors. eta vs tors. theta energy: -80.652
Dist. restrs. and SS energy: 2.744 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -1008.832752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.832752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.968127 (E_RNA)
where:
Base-Base interactions energy: -699.582
where: short stacking energy: -275.664
Base-Backbone interact. energy: -2.041
local terms energy: -316.345041
where:
bonds (distance) C4'-P energy: -65.090
bonds (distance) P-C4' energy: -67.739
flat angles C4'-P-C4' energy: -66.188
flat angles P-C4'-P energy: -40.469
tors. eta vs tors. theta energy: -76.859
Dist. restrs. and SS energy: 9.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -953.704683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.704683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.488173 (E_RNA)
where:
Base-Base interactions energy: -660.718
where: short stacking energy: -269.628
Base-Backbone interact. energy: 0.487
local terms energy: -301.257064
where:
bonds (distance) C4'-P energy: -60.235
bonds (distance) P-C4' energy: -47.592
flat angles C4'-P-C4' energy: -72.795
flat angles P-C4'-P energy: -50.984
tors. eta vs tors. theta energy: -69.650
Dist. restrs. and SS energy: 7.783 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -941.385246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.385246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.081967 (E_RNA)
where:
Base-Base interactions energy: -645.172
where: short stacking energy: -249.618
Base-Backbone interact. energy: -0.631
local terms energy: -301.279055
where:
bonds (distance) C4'-P energy: -55.819
bonds (distance) P-C4' energy: -61.912
flat angles C4'-P-C4' energy: -71.192
flat angles P-C4'-P energy: -44.957
tors. eta vs tors. theta energy: -67.399
Dist. restrs. and SS energy: 5.697 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -896.942507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.942507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.261838 (E_RNA)
where:
Base-Base interactions energy: -619.716
where: short stacking energy: -246.710
Base-Backbone interact. energy: -2.423
local terms energy: -280.122997
where:
bonds (distance) C4'-P energy: -61.207
bonds (distance) P-C4' energy: -57.572
flat angles C4'-P-C4' energy: -65.634
flat angles P-C4'-P energy: -41.971
tors. eta vs tors. theta energy: -53.738
Dist. restrs. and SS energy: 5.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -862.669344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.669344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.109658 (E_RNA)
where:
Base-Base interactions energy: -610.095
where: short stacking energy: -234.354
Base-Backbone interact. energy: -0.539
local terms energy: -257.475866
where:
bonds (distance) C4'-P energy: -57.110
bonds (distance) P-C4' energy: -52.749
flat angles C4'-P-C4' energy: -70.887
flat angles P-C4'-P energy: -33.011
tors. eta vs tors. theta energy: -43.719
Dist. restrs. and SS energy: 5.440 (S_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: 175
Temperature: 1.350000
Total energy: -784.586230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.586230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.667851 (E_RNA)
where:
Base-Base interactions energy: -542.177
where: short stacking energy: -223.530
Base-Backbone interact. energy: -1.270
local terms energy: -252.220571
where:
bonds (distance) C4'-P energy: -45.639
bonds (distance) P-C4' energy: -66.313
flat angles C4'-P-C4' energy: -54.702
flat angles P-C4'-P energy: -31.364
tors. eta vs tors. theta energy: -54.203
Dist. restrs. and SS energy: 11.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -1209.209832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.209832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.986556 (E_RNA)
where:
Base-Base interactions energy: -849.996
where: short stacking energy: -342.740
Base-Backbone interact. energy: -2.932
local terms energy: -359.058329
where:
bonds (distance) C4'-P energy: -63.413
bonds (distance) P-C4' energy: -73.263
flat angles C4'-P-C4' energy: -79.799
flat angles P-C4'-P energy: -50.534
tors. eta vs tors. theta energy: -92.048
Dist. restrs. and SS energy: 2.777 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -1200.163174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.163174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.004672 (E_RNA)
where:
Base-Base interactions energy: -849.308
where: short stacking energy: -330.054
Base-Backbone interact. energy: -3.385
local terms energy: -353.312148
where:
bonds (distance) C4'-P energy: -62.900
bonds (distance) P-C4' energy: -66.991
flat angles C4'-P-C4' energy: -78.226
flat angles P-C4'-P energy: -49.075
tors. eta vs tors. theta energy: -96.121
Dist. restrs. and SS energy: 5.841 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -1143.840216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.840216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.627363 (E_RNA)
where:
Base-Base interactions energy: -790.998
where: short stacking energy: -341.600
Base-Backbone interact. energy: -0.067
local terms energy: -357.562397
where:
bonds (distance) C4'-P energy: -54.341
bonds (distance) P-C4' energy: -65.822
flat angles C4'-P-C4' energy: -76.407
flat angles P-C4'-P energy: -62.082
tors. eta vs tors. theta energy: -98.910
Dist. restrs. and SS energy: 4.787 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -1081.829058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.829058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.621877 (E_RNA)
where:
Base-Base interactions energy: -766.029
where: short stacking energy: -313.493
Base-Backbone interact. energy: -3.124
local terms energy: -315.468898
where:
bonds (distance) C4'-P energy: -48.225
bonds (distance) P-C4' energy: -58.919
flat angles C4'-P-C4' energy: -70.510
flat angles P-C4'-P energy: -43.641
tors. eta vs tors. theta energy: -94.174
Dist. restrs. and SS energy: 2.793 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -1000.979231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.979231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.971091 (E_RNA)
where:
Base-Base interactions energy: -697.692
where: short stacking energy: -273.834
Base-Backbone interact. energy: -1.383
local terms energy: -307.895812
where:
bonds (distance) C4'-P energy: -62.834
bonds (distance) P-C4' energy: -58.393
flat angles C4'-P-C4' energy: -68.561
flat angles P-C4'-P energy: -46.164
tors. eta vs tors. theta energy: -71.944
Dist. restrs. and SS energy: 5.992 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -969.814631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.814631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.644210 (E_RNA)
where:
Base-Base interactions energy: -685.316
where: short stacking energy: -259.733
Base-Backbone interact. energy: 1.836
local terms energy: -292.164243
where:
bonds (distance) C4'-P energy: -70.419
bonds (distance) P-C4' energy: -57.328
flat angles C4'-P-C4' energy: -71.596
flat angles P-C4'-P energy: -36.383
tors. eta vs tors. theta energy: -56.437
Dist. restrs. and SS energy: 5.830 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -948.456429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.456429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.187087 (E_RNA)
where:
Base-Base interactions energy: -676.239
where: short stacking energy: -273.481
Base-Backbone interact. energy: -2.237
local terms energy: -277.710866
where:
bonds (distance) C4'-P energy: -52.582
bonds (distance) P-C4' energy: -63.362
flat angles C4'-P-C4' energy: -57.082
flat angles P-C4'-P energy: -39.764
tors. eta vs tors. theta energy: -64.920
Dist. restrs. and SS energy: 7.731 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -847.414081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.414081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.626155 (E_RNA)
where:
Base-Base interactions energy: -593.917
where: short stacking energy: -224.408
Base-Backbone interact. energy: 1.041
local terms energy: -263.750498
where:
bonds (distance) C4'-P energy: -48.159
bonds (distance) P-C4' energy: -61.226
flat angles C4'-P-C4' energy: -59.174
flat angles P-C4'-P energy: -32.920
tors. eta vs tors. theta energy: -62.271
Dist. restrs. and SS energy: 9.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -818.294770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.294770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.729037 (E_RNA)
where:
Base-Base interactions energy: -596.493
where: short stacking energy: -226.817
Base-Backbone interact. energy: 1.757
local terms energy: -228.993331
where:
bonds (distance) C4'-P energy: -64.073
bonds (distance) P-C4' energy: -46.619
flat angles C4'-P-C4' energy: -56.265
flat angles P-C4'-P energy: -16.931
tors. eta vs tors. theta energy: -45.106
Dist. restrs. and SS energy: 5.434 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -805.484191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.484191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.619197 (E_RNA)
where:
Base-Base interactions energy: -569.240
where: short stacking energy: -216.127
Base-Backbone interact. energy: 0.298
local terms energy: -245.677313
where:
bonds (distance) C4'-P energy: -58.397
bonds (distance) P-C4' energy: -53.819
flat angles C4'-P-C4' energy: -57.343
flat angles P-C4'-P energy: -41.598
tors. eta vs tors. theta energy: -34.519
Dist. restrs. and SS energy: 9.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -1213.301310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.301310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.478450 (E_RNA)
where:
Base-Base interactions energy: -867.610
where: short stacking energy: -339.298
Base-Backbone interact. energy: -2.957
local terms energy: -345.911476
where:
bonds (distance) C4'-P energy: -56.009
bonds (distance) P-C4' energy: -64.476
flat angles C4'-P-C4' energy: -76.817
flat angles P-C4'-P energy: -54.493
tors. eta vs tors. theta energy: -94.115
Dist. restrs. and SS energy: 3.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -1173.407455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.407455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.862214 (E_RNA)
where:
Base-Base interactions energy: -806.578
where: short stacking energy: -344.446
Base-Backbone interact. energy: -3.606
local terms energy: -369.678650
where:
bonds (distance) C4'-P energy: -69.561
bonds (distance) P-C4' energy: -61.874
flat angles C4'-P-C4' energy: -79.599
flat angles P-C4'-P energy: -59.332
tors. eta vs tors. theta energy: -99.311
Dist. restrs. and SS energy: 6.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -1136.972702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.972702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.448340 (E_RNA)
where:
Base-Base interactions energy: -797.329
where: short stacking energy: -329.115
Base-Backbone interact. energy: -1.381
local terms energy: -342.738272
where:
bonds (distance) C4'-P energy: -60.519
bonds (distance) P-C4' energy: -58.463
flat angles C4'-P-C4' energy: -74.842
flat angles P-C4'-P energy: -51.896
tors. eta vs tors. theta energy: -97.019
Dist. restrs. and SS energy: 4.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -1112.480598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.480598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.197878 (E_RNA)
where:
Base-Base interactions energy: -784.941
where: short stacking energy: -325.891
Base-Backbone interact. energy: -0.689
local terms energy: -331.567833
where:
bonds (distance) C4'-P energy: -62.807
bonds (distance) P-C4' energy: -68.535
flat angles C4'-P-C4' energy: -71.040
flat angles P-C4'-P energy: -44.827
tors. eta vs tors. theta energy: -84.358
Dist. restrs. and SS energy: 4.717 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -1010.917665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.917665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.659431 (E_RNA)
where:
Base-Base interactions energy: -708.860
where: short stacking energy: -293.771
Base-Backbone interact. energy: -1.584
local terms energy: -304.215231
where:
bonds (distance) C4'-P energy: -57.725
bonds (distance) P-C4' energy: -60.475
flat angles C4'-P-C4' energy: -70.776
flat angles P-C4'-P energy: -45.594
tors. eta vs tors. theta energy: -69.646
Dist. restrs. and SS energy: 3.742 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -965.646986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.646986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.774647 (E_RNA)
where:
Base-Base interactions energy: -698.954
where: short stacking energy: -289.003
Base-Backbone interact. energy: 1.265
local terms energy: -274.085650
where:
bonds (distance) C4'-P energy: -44.836
bonds (distance) P-C4' energy: -52.547
flat angles C4'-P-C4' energy: -60.551
flat angles P-C4'-P energy: -38.771
tors. eta vs tors. theta energy: -77.382
Dist. restrs. and SS energy: 6.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -871.883249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.883249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.324736 (E_RNA)
where:
Base-Base interactions energy: -592.131
where: short stacking energy: -233.340
Base-Backbone interact. energy: -3.467
local terms energy: -290.726935
where:
bonds (distance) C4'-P energy: -60.804
bonds (distance) P-C4' energy: -55.066
flat angles C4'-P-C4' energy: -61.136
flat angles P-C4'-P energy: -52.963
tors. eta vs tors. theta energy: -60.758
Dist. restrs. and SS energy: 14.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -857.843608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.843608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.288737 (E_RNA)
where:
Base-Base interactions energy: -600.975
where: short stacking energy: -246.930
Base-Backbone interact. energy: 1.123
local terms energy: -269.436382
where:
bonds (distance) C4'-P energy: -60.519
bonds (distance) P-C4' energy: -53.385
flat angles C4'-P-C4' energy: -64.733
flat angles P-C4'-P energy: -39.198
tors. eta vs tors. theta energy: -51.602
Dist. restrs. and SS energy: 11.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -841.468353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.468353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.116283 (E_RNA)
where:
Base-Base interactions energy: -566.276
where: short stacking energy: -217.103
Base-Backbone interact. energy: -0.602
local terms energy: -282.237715
where:
bonds (distance) C4'-P energy: -69.888
bonds (distance) P-C4' energy: -61.422
flat angles C4'-P-C4' energy: -53.977
flat angles P-C4'-P energy: -48.151
tors. eta vs tors. theta energy: -48.799
Dist. restrs. and SS energy: 7.648 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -794.908388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.908388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.360501 (E_RNA)
where:
Base-Base interactions energy: -559.013
where: short stacking energy: -206.989
Base-Backbone interact. energy: -0.322
local terms energy: -243.025535
where:
bonds (distance) C4'-P energy: -51.522
bonds (distance) P-C4' energy: -57.978
flat angles C4'-P-C4' energy: -63.593
flat angles P-C4'-P energy: -25.458
tors. eta vs tors. theta energy: -44.476
Dist. restrs. and SS energy: 7.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -1215.223734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.223734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.319418 (E_RNA)
where:
Base-Base interactions energy: -850.472
where: short stacking energy: -328.250
Base-Backbone interact. energy: -1.753
local terms energy: -366.094479
where:
bonds (distance) C4'-P energy: -68.750
bonds (distance) P-C4' energy: -71.910
flat angles C4'-P-C4' energy: -78.373
flat angles P-C4'-P energy: -53.305
tors. eta vs tors. theta energy: -93.756
Dist. restrs. and SS energy: 3.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -1170.770522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.770522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.128801 (E_RNA)
where:
Base-Base interactions energy: -811.299
where: short stacking energy: -362.155
Base-Backbone interact. energy: -2.707
local terms energy: -362.122119
where:
bonds (distance) C4'-P energy: -62.327
bonds (distance) P-C4' energy: -71.763
flat angles C4'-P-C4' energy: -77.824
flat angles P-C4'-P energy: -45.688
tors. eta vs tors. theta energy: -104.521
Dist. restrs. and SS energy: 5.358 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -1163.236612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.236612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.971755 (E_RNA)
where:
Base-Base interactions energy: -818.397
where: short stacking energy: -340.857
Base-Backbone interact. energy: -0.551
local terms energy: -348.023179
where:
bonds (distance) C4'-P energy: -57.101
bonds (distance) P-C4' energy: -61.854
flat angles C4'-P-C4' energy: -75.508
flat angles P-C4'-P energy: -54.839
tors. eta vs tors. theta energy: -98.722
Dist. restrs. and SS energy: 3.735 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -1101.174389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.174389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.707717 (E_RNA)
where:
Base-Base interactions energy: -772.277
where: short stacking energy: -314.743
Base-Backbone interact. energy: -1.113
local terms energy: -331.317271
where:
bonds (distance) C4'-P energy: -51.470
bonds (distance) P-C4' energy: -66.095
flat angles C4'-P-C4' energy: -73.674
flat angles P-C4'-P energy: -49.072
tors. eta vs tors. theta energy: -91.006
Dist. restrs. and SS energy: 3.533 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -1027.542823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.542823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.906478 (E_RNA)
where:
Base-Base interactions energy: -708.356
where: short stacking energy: -267.984
Base-Backbone interact. energy: 0.111
local terms energy: -322.661816
where:
bonds (distance) C4'-P energy: -73.684
bonds (distance) P-C4' energy: -67.483
flat angles C4'-P-C4' energy: -63.911
flat angles P-C4'-P energy: -47.864
tors. eta vs tors. theta energy: -69.720
Dist. restrs. and SS energy: 3.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -986.052690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.052690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.994724 (E_RNA)
where:
Base-Base interactions energy: -693.733
where: short stacking energy: -277.247
Base-Backbone interact. energy: -0.798
local terms energy: -295.463109
where:
bonds (distance) C4'-P energy: -41.726
bonds (distance) P-C4' energy: -64.614
flat angles C4'-P-C4' energy: -68.731
flat angles P-C4'-P energy: -48.367
tors. eta vs tors. theta energy: -72.025
Dist. restrs. and SS energy: 3.942 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -892.569975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.569975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.795324 (E_RNA)
where:
Base-Base interactions energy: -616.544
where: short stacking energy: -262.883
Base-Backbone interact. energy: -0.247
local terms energy: -284.004008
where:
bonds (distance) C4'-P energy: -60.301
bonds (distance) P-C4' energy: -48.288
flat angles C4'-P-C4' energy: -71.840
flat angles P-C4'-P energy: -34.147
tors. eta vs tors. theta energy: -69.427
Dist. restrs. and SS energy: 8.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -917.143364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.143364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.866577 (E_RNA)
where:
Base-Base interactions energy: -664.477
where: short stacking energy: -266.661
Base-Backbone interact. energy: -2.180
local terms energy: -255.209580
where:
bonds (distance) C4'-P energy: -54.323
bonds (distance) P-C4' energy: -50.915
flat angles C4'-P-C4' energy: -58.077
flat angles P-C4'-P energy: -22.514
tors. eta vs tors. theta energy: -69.380
Dist. restrs. and SS energy: 4.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -869.394336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.394336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.672413 (E_RNA)
where:
Base-Base interactions energy: -590.355
where: short stacking energy: -245.818
Base-Backbone interact. energy: 1.637
local terms energy: -288.955048
where:
bonds (distance) C4'-P energy: -59.469
bonds (distance) P-C4' energy: -64.434
flat angles C4'-P-C4' energy: -62.629
flat angles P-C4'-P energy: -39.921
tors. eta vs tors. theta energy: -62.501
Dist. restrs. and SS energy: 8.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -824.852368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.852368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.613215 (E_RNA)
where:
Base-Base interactions energy: -567.900
where: short stacking energy: -209.785
Base-Backbone interact. energy: -2.742
local terms energy: -260.971044
where:
bonds (distance) C4'-P energy: -51.000
bonds (distance) P-C4' energy: -67.381
flat angles C4'-P-C4' energy: -60.147
flat angles P-C4'-P energy: -43.653
tors. eta vs tors. theta energy: -38.790
Dist. restrs. and SS energy: 6.761 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -1217.088718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.088718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.423601 (E_RNA)
where:
Base-Base interactions energy: -854.370
where: short stacking energy: -360.452
Base-Backbone interact. energy: 0.327
local terms energy: -366.380879
where:
bonds (distance) C4'-P energy: -78.226
bonds (distance) P-C4' energy: -67.358
flat angles C4'-P-C4' energy: -71.161
flat angles P-C4'-P energy: -56.025
tors. eta vs tors. theta energy: -93.611
Dist. restrs. and SS energy: 3.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -1177.239161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.239161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.682765 (E_RNA)
where:
Base-Base interactions energy: -803.501
where: short stacking energy: -330.505
Base-Backbone interact. energy: -2.778
local terms energy: -373.403616
where:
bonds (distance) C4'-P energy: -72.711
bonds (distance) P-C4' energy: -70.823
flat angles C4'-P-C4' energy: -74.925
flat angles P-C4'-P energy: -61.845
tors. eta vs tors. theta energy: -93.099
Dist. restrs. and SS energy: 2.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -1139.484054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.484054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.202431 (E_RNA)
where:
Base-Base interactions energy: -790.563
where: short stacking energy: -357.565
Base-Backbone interact. energy: -1.836
local terms energy: -351.803342
where:
bonds (distance) C4'-P energy: -51.653
bonds (distance) P-C4' energy: -65.750
flat angles C4'-P-C4' energy: -80.839
flat angles P-C4'-P energy: -52.615
tors. eta vs tors. theta energy: -100.946
Dist. restrs. and SS energy: 4.718 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -1066.453099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.453099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.350187 (E_RNA)
where:
Base-Base interactions energy: -746.989
where: short stacking energy: -295.914
Base-Backbone interact. energy: -1.839
local terms energy: -322.522138
where:
bonds (distance) C4'-P energy: -57.870
bonds (distance) P-C4' energy: -66.158
flat angles C4'-P-C4' energy: -74.892
flat angles P-C4'-P energy: -44.897
tors. eta vs tors. theta energy: -78.705
Dist. restrs. and SS energy: 4.897 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -1017.989994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.989994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.825714 (E_RNA)
where:
Base-Base interactions energy: -728.802
where: short stacking energy: -292.225
Base-Backbone interact. energy: -0.354
local terms energy: -292.669690
where:
bonds (distance) C4'-P energy: -48.179
bonds (distance) P-C4' energy: -60.501
flat angles C4'-P-C4' energy: -70.421
flat angles P-C4'-P energy: -48.407
tors. eta vs tors. theta energy: -65.161
Dist. restrs. and SS energy: 3.836 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -977.570475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.570475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.190762 (E_RNA)
where:
Base-Base interactions energy: -695.562
where: short stacking energy: -271.792
Base-Backbone interact. energy: 1.876
local terms energy: -288.505118
where:
bonds (distance) C4'-P energy: -41.020
bonds (distance) P-C4' energy: -69.699
flat angles C4'-P-C4' energy: -77.253
flat angles P-C4'-P energy: -34.206
tors. eta vs tors. theta energy: -66.327
Dist. restrs. and SS energy: 4.620 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -898.297684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.297684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.146586 (E_RNA)
where:
Base-Base interactions energy: -612.302
where: short stacking energy: -253.074
Base-Backbone interact. energy: -1.338
local terms energy: -291.506533
where:
bonds (distance) C4'-P energy: -54.545
bonds (distance) P-C4' energy: -61.686
flat angles C4'-P-C4' energy: -67.410
flat angles P-C4'-P energy: -44.594
tors. eta vs tors. theta energy: -63.272
Dist. restrs. and SS energy: 6.849 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -922.434601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.434601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.052782 (E_RNA)
where:
Base-Base interactions energy: -637.485
where: short stacking energy: -259.466
Base-Backbone interact. energy: -3.538
local terms energy: -287.029677
where:
bonds (distance) C4'-P energy: -55.639
bonds (distance) P-C4' energy: -58.987
flat angles C4'-P-C4' energy: -62.155
flat angles P-C4'-P energy: -43.348
tors. eta vs tors. theta energy: -66.900
Dist. restrs. and SS energy: 5.618 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -852.665010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.665010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.556193 (E_RNA)
where:
Base-Base interactions energy: -582.641
where: short stacking energy: -228.400
Base-Backbone interact. energy: -3.910
local terms energy: -273.005191
where:
bonds (distance) C4'-P energy: -57.655
bonds (distance) P-C4' energy: -54.830
flat angles C4'-P-C4' energy: -62.495
flat angles P-C4'-P energy: -48.035
tors. eta vs tors. theta energy: -49.990
Dist. restrs. and SS energy: 6.891 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -772.893734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.893734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.793531 (E_RNA)
where:
Base-Base interactions energy: -535.007
where: short stacking energy: -206.184
Base-Backbone interact. energy: -2.722
local terms energy: -241.064072
where:
bonds (distance) C4'-P energy: -44.383
bonds (distance) P-C4' energy: -64.196
flat angles C4'-P-C4' energy: -49.154
flat angles P-C4'-P energy: -34.159
tors. eta vs tors. theta energy: -49.172
Dist. restrs. and SS energy: 5.900 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -1209.003057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.003057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.451850 (E_RNA)
where:
Base-Base interactions energy: -844.218
where: short stacking energy: -330.983
Base-Backbone interact. energy: -2.857
local terms energy: -365.376592
where:
bonds (distance) C4'-P energy: -67.547
bonds (distance) P-C4' energy: -72.892
flat angles C4'-P-C4' energy: -76.004
flat angles P-C4'-P energy: -45.816
tors. eta vs tors. theta energy: -103.119
Dist. restrs. and SS energy: 3.449 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -1175.138840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.138840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.791196 (E_RNA)
where:
Base-Base interactions energy: -825.143
where: short stacking energy: -322.884
Base-Backbone interact. energy: 0.525
local terms energy: -353.173657
where:
bonds (distance) C4'-P energy: -65.763
bonds (distance) P-C4' energy: -64.193
flat angles C4'-P-C4' energy: -71.737
flat angles P-C4'-P energy: -51.656
tors. eta vs tors. theta energy: -99.824
Dist. restrs. and SS energy: 2.652 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -1109.877388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.877388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.714027 (E_RNA)
where:
Base-Base interactions energy: -772.222
where: short stacking energy: -327.252
Base-Backbone interact. energy: 0.247
local terms energy: -341.739546
where:
bonds (distance) C4'-P energy: -58.569
bonds (distance) P-C4' energy: -66.700
flat angles C4'-P-C4' energy: -68.331
flat angles P-C4'-P energy: -55.936
tors. eta vs tors. theta energy: -92.204
Dist. restrs. and SS energy: 3.837 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -1101.059460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.059460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.270529 (E_RNA)
where:
Base-Base interactions energy: -786.350
where: short stacking energy: -315.384
Base-Backbone interact. energy: -0.372
local terms energy: -322.548833
where:
bonds (distance) C4'-P energy: -62.201
bonds (distance) P-C4' energy: -59.103
flat angles C4'-P-C4' energy: -70.362
flat angles P-C4'-P energy: -45.767
tors. eta vs tors. theta energy: -85.115
Dist. restrs. and SS energy: 8.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -998.965619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.965619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.932088 (E_RNA)
where:
Base-Base interactions energy: -682.363
where: short stacking energy: -272.272
Base-Backbone interact. energy: -3.730
local terms energy: -316.839069
where:
bonds (distance) C4'-P energy: -60.796
bonds (distance) P-C4' energy: -61.295
flat angles C4'-P-C4' energy: -67.476
flat angles P-C4'-P energy: -58.560
tors. eta vs tors. theta energy: -68.712
Dist. restrs. and SS energy: 3.966 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -971.008971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.008971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.696948 (E_RNA)
where:
Base-Base interactions energy: -671.121
where: short stacking energy: -287.283
Base-Backbone interact. energy: -1.105
local terms energy: -307.471510
where:
bonds (distance) C4'-P energy: -61.806
bonds (distance) P-C4' energy: -58.825
flat angles C4'-P-C4' energy: -63.052
flat angles P-C4'-P energy: -45.896
tors. eta vs tors. theta energy: -77.891
Dist. restrs. and SS energy: 8.688 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -943.277621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.277621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.390359 (E_RNA)
where:
Base-Base interactions energy: -660.105
where: short stacking energy: -282.191
Base-Backbone interact. energy: -0.180
local terms energy: -289.105851
where:
bonds (distance) C4'-P energy: -55.021
bonds (distance) P-C4' energy: -52.088
flat angles C4'-P-C4' energy: -68.917
flat angles P-C4'-P energy: -39.371
tors. eta vs tors. theta energy: -73.709
Dist. restrs. and SS energy: 6.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -863.836467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.836467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.004403 (E_RNA)
where:
Base-Base interactions energy: -612.497
where: short stacking energy: -257.649
Base-Backbone interact. energy: -1.571
local terms energy: -259.936867
where:
bonds (distance) C4'-P energy: -54.166
bonds (distance) P-C4' energy: -64.166
flat angles C4'-P-C4' energy: -58.338
flat angles P-C4'-P energy: -25.620
tors. eta vs tors. theta energy: -57.647
Dist. restrs. and SS energy: 10.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -827.984547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.984547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.718487 (E_RNA)
where:
Base-Base interactions energy: -581.046
where: short stacking energy: -219.862
Base-Backbone interact. energy: -2.737
local terms energy: -254.935864
where:
bonds (distance) C4'-P energy: -53.640
bonds (distance) P-C4' energy: -59.182
flat angles C4'-P-C4' energy: -61.154
flat angles P-C4'-P energy: -33.840
tors. eta vs tors. theta energy: -47.120
Dist. restrs. and SS energy: 10.734 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -835.377008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.377008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.613165 (E_RNA)
where:
Base-Base interactions energy: -600.617
where: short stacking energy: -231.817
Base-Backbone interact. energy: 2.760
local terms energy: -241.756245
where:
bonds (distance) C4'-P energy: -50.720
bonds (distance) P-C4' energy: -47.882
flat angles C4'-P-C4' energy: -58.638
flat angles P-C4'-P energy: -36.108
tors. eta vs tors. theta energy: -48.408
Dist. restrs. and SS energy: 4.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -1216.600808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.600808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.553489 (E_RNA)
where:
Base-Base interactions energy: -866.160
where: short stacking energy: -340.838
Base-Backbone interact. energy: -4.120
local terms energy: -350.272638
where:
bonds (distance) C4'-P energy: -63.410
bonds (distance) P-C4' energy: -67.220
flat angles C4'-P-C4' energy: -76.909
flat angles P-C4'-P energy: -49.413
tors. eta vs tors. theta energy: -93.321
Dist. restrs. and SS energy: 3.953 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -1155.349283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.349283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.390894 (E_RNA)
where:
Base-Base interactions energy: -820.409
where: short stacking energy: -339.343
Base-Backbone interact. energy: 1.672
local terms energy: -339.653932
where:
bonds (distance) C4'-P energy: -66.639
bonds (distance) P-C4' energy: -67.230
flat angles C4'-P-C4' energy: -68.698
flat angles P-C4'-P energy: -46.607
tors. eta vs tors. theta energy: -90.480
Dist. restrs. and SS energy: 3.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -1135.200206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.200206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.706599 (E_RNA)
where:
Base-Base interactions energy: -773.135
where: short stacking energy: -313.162
Base-Backbone interact. energy: -2.462
local terms energy: -363.109629
where:
bonds (distance) C4'-P energy: -77.219
bonds (distance) P-C4' energy: -73.085
flat angles C4'-P-C4' energy: -77.727
flat angles P-C4'-P energy: -48.429
tors. eta vs tors. theta energy: -86.649
Dist. restrs. and SS energy: 3.506 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -1081.954499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.954499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.629199 (E_RNA)
where:
Base-Base interactions energy: -740.074
where: short stacking energy: -303.731
Base-Backbone interact. energy: -3.829
local terms energy: -341.726298
where:
bonds (distance) C4'-P energy: -68.189
bonds (distance) P-C4' energy: -66.978
flat angles C4'-P-C4' energy: -71.545
flat angles P-C4'-P energy: -49.442
tors. eta vs tors. theta energy: -85.572
Dist. restrs. and SS energy: 3.675 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -1033.867323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.867323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.275730 (E_RNA)
where:
Base-Base interactions energy: -716.423
where: short stacking energy: -294.786
Base-Backbone interact. energy: -0.057
local terms energy: -321.795460
where:
bonds (distance) C4'-P energy: -71.665
bonds (distance) P-C4' energy: -64.411
flat angles C4'-P-C4' energy: -60.178
flat angles P-C4'-P energy: -43.213
tors. eta vs tors. theta energy: -82.328
Dist. restrs. and SS energy: 4.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -966.654761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.654761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.084489 (E_RNA)
where:
Base-Base interactions energy: -691.145
where: short stacking energy: -285.454
Base-Backbone interact. energy: 0.425
local terms energy: -285.364310
where:
bonds (distance) C4'-P energy: -51.906
bonds (distance) P-C4' energy: -52.838
flat angles C4'-P-C4' energy: -66.601
flat angles P-C4'-P energy: -42.116
tors. eta vs tors. theta energy: -71.902
Dist. restrs. and SS energy: 9.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -978.838493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.838493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.789293 (E_RNA)
where:
Base-Base interactions energy: -690.991
where: short stacking energy: -274.413
Base-Backbone interact. energy: 0.302
local terms energy: -297.100321
where:
bonds (distance) C4'-P energy: -62.074
bonds (distance) P-C4' energy: -64.816
flat angles C4'-P-C4' energy: -65.922
flat angles P-C4'-P energy: -35.664
tors. eta vs tors. theta energy: -68.625
Dist. restrs. and SS energy: 8.951 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -845.092374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.092374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.524061 (E_RNA)
where:
Base-Base interactions energy: -580.746
where: short stacking energy: -227.952
Base-Backbone interact. energy: -1.221
local terms energy: -276.557034
where:
bonds (distance) C4'-P energy: -55.836
bonds (distance) P-C4' energy: -59.096
flat angles C4'-P-C4' energy: -68.143
flat angles P-C4'-P energy: -39.013
tors. eta vs tors. theta energy: -54.468
Dist. restrs. and SS energy: 13.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -832.763842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.763842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.777217 (E_RNA)
where:
Base-Base interactions energy: -592.947
where: short stacking energy: -250.110
Base-Backbone interact. energy: 9.883
local terms energy: -258.713639
where:
bonds (distance) C4'-P energy: -58.652
bonds (distance) P-C4' energy: -62.486
flat angles C4'-P-C4' energy: -60.697
flat angles P-C4'-P energy: -13.479
tors. eta vs tors. theta energy: -63.399
Dist. restrs. and SS energy: 9.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -831.676836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.676836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.228946 (E_RNA)
where:
Base-Base interactions energy: -607.145
where: short stacking energy: -225.978
Base-Backbone interact. energy: -1.126
local terms energy: -233.958339
where:
bonds (distance) C4'-P energy: -53.032
bonds (distance) P-C4' energy: -41.593
flat angles C4'-P-C4' energy: -52.752
flat angles P-C4'-P energy: -38.249
tors. eta vs tors. theta energy: -48.332
Dist. restrs. and SS energy: 10.552 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -1207.050562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.050562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.093558 (E_RNA)
where:
Base-Base interactions energy: -863.634
where: short stacking energy: -355.065
Base-Backbone interact. energy: -1.351
local terms energy: -345.108149
where:
bonds (distance) C4'-P energy: -57.383
bonds (distance) P-C4' energy: -61.178
flat angles C4'-P-C4' energy: -77.946
flat angles P-C4'-P energy: -48.246
tors. eta vs tors. theta energy: -100.355
Dist. restrs. and SS energy: 3.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -1143.369284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.369284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.223722 (E_RNA)
where:
Base-Base interactions energy: -782.494
where: short stacking energy: -309.323
Base-Backbone interact. energy: -2.933
local terms energy: -360.796992
where:
bonds (distance) C4'-P energy: -75.105
bonds (distance) P-C4' energy: -61.354
flat angles C4'-P-C4' energy: -75.345
flat angles P-C4'-P energy: -56.713
tors. eta vs tors. theta energy: -92.279
Dist. restrs. and SS energy: 2.854 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -1110.907524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.907524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.524323 (E_RNA)
where:
Base-Base interactions energy: -795.677
where: short stacking energy: -324.103
Base-Backbone interact. energy: -1.511
local terms energy: -317.336961
where:
bonds (distance) C4'-P energy: -54.993
bonds (distance) P-C4' energy: -56.134
flat angles C4'-P-C4' energy: -72.672
flat angles P-C4'-P energy: -44.325
tors. eta vs tors. theta energy: -89.213
Dist. restrs. and SS energy: 3.617 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -1082.259541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.259541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.166472 (E_RNA)
where:
Base-Base interactions energy: -766.744
where: short stacking energy: -315.160
Base-Backbone interact. energy: -2.245
local terms energy: -317.177746
where:
bonds (distance) C4'-P energy: -52.201
bonds (distance) P-C4' energy: -64.506
flat angles C4'-P-C4' energy: -75.768
flat angles P-C4'-P energy: -41.928
tors. eta vs tors. theta energy: -82.775
Dist. restrs. and SS energy: 3.907 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -1031.139046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.139046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.695104 (E_RNA)
where:
Base-Base interactions energy: -716.789
where: short stacking energy: -309.359
Base-Backbone interact. energy: -2.853
local terms energy: -317.052465
where:
bonds (distance) C4'-P energy: -63.548
bonds (distance) P-C4' energy: -60.701
flat angles C4'-P-C4' energy: -66.196
flat angles P-C4'-P energy: -42.765
tors. eta vs tors. theta energy: -83.843
Dist. restrs. and SS energy: 5.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -961.503697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.503697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.744138 (E_RNA)
where:
Base-Base interactions energy: -683.896
where: short stacking energy: -261.447
Base-Backbone interact. energy: 1.156
local terms energy: -283.004066
where:
bonds (distance) C4'-P energy: -58.614
bonds (distance) P-C4' energy: -61.738
flat angles C4'-P-C4' energy: -54.069
flat angles P-C4'-P energy: -40.287
tors. eta vs tors. theta energy: -68.296
Dist. restrs. and SS energy: 4.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -884.402011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.402011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.914393 (E_RNA)
where:
Base-Base interactions energy: -604.140
where: short stacking energy: -250.903
Base-Backbone interact. energy: -0.122
local terms energy: -294.653121
where:
bonds (distance) C4'-P energy: -62.536
bonds (distance) P-C4' energy: -59.862
flat angles C4'-P-C4' energy: -56.378
flat angles P-C4'-P energy: -46.538
tors. eta vs tors. theta energy: -69.339
Dist. restrs. and SS energy: 14.512 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -976.969475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.969475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.112821 (E_RNA)
where:
Base-Base interactions energy: -694.310
where: short stacking energy: -277.285
Base-Backbone interact. energy: -0.664
local terms energy: -288.139008
where:
bonds (distance) C4'-P energy: -50.519
bonds (distance) P-C4' energy: -75.924
flat angles C4'-P-C4' energy: -53.317
flat angles P-C4'-P energy: -42.938
tors. eta vs tors. theta energy: -65.441
Dist. restrs. and SS energy: 6.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -862.560789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.560789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.912166 (E_RNA)
where:
Base-Base interactions energy: -623.677
where: short stacking energy: -240.142
Base-Backbone interact. energy: -0.574
local terms energy: -244.660921
where:
bonds (distance) C4'-P energy: -34.542
bonds (distance) P-C4' energy: -61.689
flat angles C4'-P-C4' energy: -63.145
flat angles P-C4'-P energy: -29.112
tors. eta vs tors. theta energy: -56.173
Dist. restrs. and SS energy: 6.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -811.115087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.115087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.689714 (E_RNA)
where:
Base-Base interactions energy: -571.399
where: short stacking energy: -223.509
Base-Backbone interact. energy: -0.370
local terms energy: -256.920035
where:
bonds (distance) C4'-P energy: -53.691
bonds (distance) P-C4' energy: -66.722
flat angles C4'-P-C4' energy: -57.859
flat angles P-C4'-P energy: -30.945
tors. eta vs tors. theta energy: -47.702
Dist. restrs. and SS energy: 17.575 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -1187.300417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.300417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.244021 (E_RNA)
where:
Base-Base interactions energy: -833.787
where: short stacking energy: -334.935
Base-Backbone interact. energy: -1.744
local terms energy: -354.712469
where:
bonds (distance) C4'-P energy: -69.740
bonds (distance) P-C4' energy: -66.008
flat angles C4'-P-C4' energy: -74.883
flat angles P-C4'-P energy: -49.387
tors. eta vs tors. theta energy: -94.695
Dist. restrs. and SS energy: 2.944 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -1140.790410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.790410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.963583 (E_RNA)
where:
Base-Base interactions energy: -777.462
where: short stacking energy: -313.862
Base-Backbone interact. energy: -2.905
local terms energy: -364.596365
where:
bonds (distance) C4'-P energy: -70.741
bonds (distance) P-C4' energy: -64.892
flat angles C4'-P-C4' energy: -74.854
flat angles P-C4'-P energy: -56.023
tors. eta vs tors. theta energy: -98.086
Dist. restrs. and SS energy: 4.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -1126.977355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.977355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.879913 (E_RNA)
where:
Base-Base interactions energy: -789.440
where: short stacking energy: -334.331
Base-Backbone interact. energy: -4.355
local terms energy: -336.085222
where:
bonds (distance) C4'-P energy: -53.813
bonds (distance) P-C4' energy: -65.409
flat angles C4'-P-C4' energy: -71.795
flat angles P-C4'-P energy: -56.319
tors. eta vs tors. theta energy: -88.749
Dist. restrs. and SS energy: 2.903 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -1099.974274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.974274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.665060 (E_RNA)
where:
Base-Base interactions energy: -761.698
where: short stacking energy: -327.147
Base-Backbone interact. energy: -0.988
local terms energy: -340.979220
where:
bonds (distance) C4'-P energy: -63.006
bonds (distance) P-C4' energy: -66.364
flat angles C4'-P-C4' energy: -75.307
flat angles P-C4'-P energy: -46.924
tors. eta vs tors. theta energy: -89.378
Dist. restrs. and SS energy: 3.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -1014.461294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.461294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.780082 (E_RNA)
where:
Base-Base interactions energy: -703.329
where: short stacking energy: -296.478
Base-Backbone interact. energy: -3.480
local terms energy: -310.970227
where:
bonds (distance) C4'-P energy: -49.456
bonds (distance) P-C4' energy: -68.857
flat angles C4'-P-C4' energy: -66.030
flat angles P-C4'-P energy: -44.848
tors. eta vs tors. theta energy: -81.779
Dist. restrs. and SS energy: 3.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -986.864201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.864201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.889425 (E_RNA)
where:
Base-Base interactions energy: -680.560
where: short stacking energy: -289.713
Base-Backbone interact. energy: -0.523
local terms energy: -310.806047
where:
bonds (distance) C4'-P energy: -55.183
bonds (distance) P-C4' energy: -64.941
flat angles C4'-P-C4' energy: -67.103
flat angles P-C4'-P energy: -45.997
tors. eta vs tors. theta energy: -77.581
Dist. restrs. and SS energy: 5.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -871.522616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.522616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.425265 (E_RNA)
where:
Base-Base interactions energy: -623.478
where: short stacking energy: -241.145
Base-Backbone interact. energy: 0.062
local terms energy: -260.009117
where:
bonds (distance) C4'-P energy: -48.194
bonds (distance) P-C4' energy: -60.384
flat angles C4'-P-C4' energy: -62.295
flat angles P-C4'-P energy: -39.447
tors. eta vs tors. theta energy: -49.689
Dist. restrs. and SS energy: 11.903 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -942.971757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.971757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.737115 (E_RNA)
where:
Base-Base interactions energy: -675.049
where: short stacking energy: -266.745
Base-Backbone interact. energy: -1.225
local terms energy: -272.463466
where:
bonds (distance) C4'-P energy: -43.370
bonds (distance) P-C4' energy: -56.488
flat angles C4'-P-C4' energy: -62.430
flat angles P-C4'-P energy: -43.126
tors. eta vs tors. theta energy: -67.049
Dist. restrs. and SS energy: 5.765 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -828.973113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.973113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.946625 (E_RNA)
where:
Base-Base interactions energy: -597.605
where: short stacking energy: -220.017
Base-Backbone interact. energy: -1.976
local terms energy: -233.364887
where:
bonds (distance) C4'-P energy: -50.985
bonds (distance) P-C4' energy: -55.575
flat angles C4'-P-C4' energy: -43.530
flat angles P-C4'-P energy: -37.712
tors. eta vs tors. theta energy: -45.563
Dist. restrs. and SS energy: 3.974 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -800.188135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.188135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.821137 (E_RNA)
where:
Base-Base interactions energy: -550.500
where: short stacking energy: -215.203
Base-Backbone interact. energy: -2.259
local terms energy: -262.062154
where:
bonds (distance) C4'-P energy: -50.507
bonds (distance) P-C4' energy: -52.705
flat angles C4'-P-C4' energy: -62.564
flat angles P-C4'-P energy: -43.693
tors. eta vs tors. theta energy: -52.595
Dist. restrs. and SS energy: 14.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -1196.565488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.565488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.140772 (E_RNA)
where:
Base-Base interactions energy: -826.367
where: short stacking energy: -345.785
Base-Backbone interact. energy: -1.011
local terms energy: -371.762682
where:
bonds (distance) C4'-P energy: -68.121
bonds (distance) P-C4' energy: -70.763
flat angles C4'-P-C4' energy: -76.391
flat angles P-C4'-P energy: -60.101
tors. eta vs tors. theta energy: -96.386
Dist. restrs. and SS energy: 2.575 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -1127.025280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.025280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.110837 (E_RNA)
where:
Base-Base interactions energy: -789.837
where: short stacking energy: -317.932
Base-Backbone interact. energy: 0.399
local terms energy: -340.672875
where:
bonds (distance) C4'-P energy: -51.674
bonds (distance) P-C4' energy: -71.995
flat angles C4'-P-C4' energy: -78.075
flat angles P-C4'-P energy: -46.989
tors. eta vs tors. theta energy: -91.940
Dist. restrs. and SS energy: 3.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -1135.886169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.886169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.901555 (E_RNA)
where:
Base-Base interactions energy: -793.626
where: short stacking energy: -337.515
Base-Backbone interact. energy: -2.366
local terms energy: -343.909687
where:
bonds (distance) C4'-P energy: -65.354
bonds (distance) P-C4' energy: -54.155
flat angles C4'-P-C4' energy: -78.408
flat angles P-C4'-P energy: -49.039
tors. eta vs tors. theta energy: -96.954
Dist. restrs. and SS energy: 4.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -1107.650058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.650058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.706988 (E_RNA)
where:
Base-Base interactions energy: -752.938
where: short stacking energy: -314.119
Base-Backbone interact. energy: -1.267
local terms energy: -357.502746
where:
bonds (distance) C4'-P energy: -65.817
bonds (distance) P-C4' energy: -67.866
flat angles C4'-P-C4' energy: -74.315
flat angles P-C4'-P energy: -55.540
tors. eta vs tors. theta energy: -93.965
Dist. restrs. and SS energy: 4.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -1018.201435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.201435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.614016 (E_RNA)
where:
Base-Base interactions energy: -695.668
where: short stacking energy: -268.220
Base-Backbone interact. energy: -0.457
local terms energy: -329.488644
where:
bonds (distance) C4'-P energy: -59.688
bonds (distance) P-C4' energy: -72.363
flat angles C4'-P-C4' energy: -72.906
flat angles P-C4'-P energy: -42.528
tors. eta vs tors. theta energy: -82.003
Dist. restrs. and SS energy: 7.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -998.000650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.000650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.721361 (E_RNA)
where:
Base-Base interactions energy: -692.234
where: short stacking energy: -285.181
Base-Backbone interact. energy: -0.178
local terms energy: -310.308932
where:
bonds (distance) C4'-P energy: -69.676
bonds (distance) P-C4' energy: -52.504
flat angles C4'-P-C4' energy: -64.594
flat angles P-C4'-P energy: -52.573
tors. eta vs tors. theta energy: -70.962
Dist. restrs. and SS energy: 4.721 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -994.578881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.578881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.027768 (E_RNA)
where:
Base-Base interactions energy: -711.835
where: short stacking energy: -287.061
Base-Backbone interact. energy: 0.455
local terms energy: -288.646909
where:
bonds (distance) C4'-P energy: -58.456
bonds (distance) P-C4' energy: -58.214
flat angles C4'-P-C4' energy: -69.728
flat angles P-C4'-P energy: -32.790
tors. eta vs tors. theta energy: -69.460
Dist. restrs. and SS energy: 5.449 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -865.486728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.486728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.968352 (E_RNA)
where:
Base-Base interactions energy: -586.157
where: short stacking energy: -221.398
Base-Backbone interact. energy: -2.437
local terms energy: -289.374380
where:
bonds (distance) C4'-P energy: -60.067
bonds (distance) P-C4' energy: -70.040
flat angles C4'-P-C4' energy: -66.806
flat angles P-C4'-P energy: -38.186
tors. eta vs tors. theta energy: -54.275
Dist. restrs. and SS energy: 12.482 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -813.315812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.315812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.877094 (E_RNA)
where:
Base-Base interactions energy: -582.296
where: short stacking energy: -232.608
Base-Backbone interact. energy: 0.908
local terms energy: -247.488592
where:
bonds (distance) C4'-P energy: -62.545
bonds (distance) P-C4' energy: -41.659
flat angles C4'-P-C4' energy: -59.066
flat angles P-C4'-P energy: -33.149
tors. eta vs tors. theta energy: -51.069
Dist. restrs. and SS energy: 15.561 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -779.030420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.030420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.304153 (E_RNA)
where:
Base-Base interactions energy: -527.508
where: short stacking energy: -198.278
Base-Backbone interact. energy: 0.326
local terms energy: -270.122589
where:
bonds (distance) C4'-P energy: -63.810
bonds (distance) P-C4' energy: -53.653
flat angles C4'-P-C4' energy: -54.997
flat angles P-C4'-P energy: -49.756
tors. eta vs tors. theta energy: -47.907
Dist. restrs. and SS energy: 18.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -1204.727692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.727692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.799725 (E_RNA)
where:
Base-Base interactions energy: -851.840
where: short stacking energy: -345.853
Base-Backbone interact. energy: -3.364
local terms energy: -352.596066
where:
bonds (distance) C4'-P energy: -67.448
bonds (distance) P-C4' energy: -69.427
flat angles C4'-P-C4' energy: -75.641
flat angles P-C4'-P energy: -50.904
tors. eta vs tors. theta energy: -89.175
Dist. restrs. and SS energy: 3.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -1192.723941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.723941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.507783 (E_RNA)
where:
Base-Base interactions energy: -828.481
where: short stacking energy: -333.751
Base-Backbone interact. energy: -0.364
local terms energy: -366.662738
where:
bonds (distance) C4'-P energy: -72.475
bonds (distance) P-C4' energy: -79.484
flat angles C4'-P-C4' energy: -67.957
flat angles P-C4'-P energy: -50.917
tors. eta vs tors. theta energy: -95.830
Dist. restrs. and SS energy: 2.784 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -1130.366761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.366761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.636869 (E_RNA)
where:
Base-Base interactions energy: -767.726
where: short stacking energy: -319.140
Base-Backbone interact. energy: 1.896
local terms energy: -368.807659
where:
bonds (distance) C4'-P energy: -62.940
bonds (distance) P-C4' energy: -73.110
flat angles C4'-P-C4' energy: -77.751
flat angles P-C4'-P energy: -59.370
tors. eta vs tors. theta energy: -95.638
Dist. restrs. and SS energy: 4.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -1129.453214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.453214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.595820 (E_RNA)
where:
Base-Base interactions energy: -799.143
where: short stacking energy: -329.591
Base-Backbone interact. energy: -0.620
local terms energy: -334.832542
where:
bonds (distance) C4'-P energy: -62.806
bonds (distance) P-C4' energy: -67.063
flat angles C4'-P-C4' energy: -75.972
flat angles P-C4'-P energy: -43.228
tors. eta vs tors. theta energy: -85.763
Dist. restrs. and SS energy: 5.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -1029.207364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.207364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.070583 (E_RNA)
where:
Base-Base interactions energy: -699.664
where: short stacking energy: -277.966
Base-Backbone interact. energy: 0.494
local terms energy: -333.900911
where:
bonds (distance) C4'-P energy: -67.807
bonds (distance) P-C4' energy: -67.349
flat angles C4'-P-C4' energy: -77.340
flat angles P-C4'-P energy: -41.587
tors. eta vs tors. theta energy: -79.817
Dist. restrs. and SS energy: 3.863 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -964.233812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.233812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.962690 (E_RNA)
where:
Base-Base interactions energy: -675.268
where: short stacking energy: -268.199
Base-Backbone interact. energy: -1.213
local terms energy: -292.480957
where:
bonds (distance) C4'-P energy: -57.494
bonds (distance) P-C4' energy: -56.929
flat angles C4'-P-C4' energy: -66.858
flat angles P-C4'-P energy: -48.563
tors. eta vs tors. theta energy: -62.637
Dist. restrs. and SS energy: 4.729 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -937.820068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.820068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.018181 (E_RNA)
where:
Base-Base interactions energy: -659.369
where: short stacking energy: -270.595
Base-Backbone interact. energy: -1.952
local terms energy: -282.696434
where:
bonds (distance) C4'-P energy: -69.217
bonds (distance) P-C4' energy: -50.689
flat angles C4'-P-C4' energy: -65.398
flat angles P-C4'-P energy: -28.178
tors. eta vs tors. theta energy: -69.215
Dist. restrs. and SS energy: 6.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -884.754610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.754610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.501081 (E_RNA)
where:
Base-Base interactions energy: -618.870
where: short stacking energy: -244.354
Base-Backbone interact. energy: -2.261
local terms energy: -273.369907
where:
bonds (distance) C4'-P energy: -51.737
bonds (distance) P-C4' energy: -62.701
flat angles C4'-P-C4' energy: -63.805
flat angles P-C4'-P energy: -36.823
tors. eta vs tors. theta energy: -58.304
Dist. restrs. and SS energy: 9.746 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -832.509301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.509301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.319167 (E_RNA)
where:
Base-Base interactions energy: -571.159
where: short stacking energy: -244.415
Base-Backbone interact. energy: -2.027
local terms energy: -272.133467
where:
bonds (distance) C4'-P energy: -56.374
bonds (distance) P-C4' energy: -51.262
flat angles C4'-P-C4' energy: -60.645
flat angles P-C4'-P energy: -43.002
tors. eta vs tors. theta energy: -60.851
Dist. restrs. and SS energy: 12.810 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -767.547241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.547241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.529929 (E_RNA)
where:
Base-Base interactions energy: -546.540
where: short stacking energy: -224.719
Base-Backbone interact. energy: 0.994
local terms energy: -241.984140
where:
bonds (distance) C4'-P energy: -43.292
bonds (distance) P-C4' energy: -47.676
flat angles C4'-P-C4' energy: -55.886
flat angles P-C4'-P energy: -38.179
tors. eta vs tors. theta energy: -56.951
Dist. restrs. and SS energy: 19.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -1189.526827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.526827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.768196 (E_RNA)
where:
Base-Base interactions energy: -839.261
where: short stacking energy: -349.257
Base-Backbone interact. energy: -3.130
local terms energy: -350.376905
where:
bonds (distance) C4'-P energy: -64.270
bonds (distance) P-C4' energy: -60.529
flat angles C4'-P-C4' energy: -76.995
flat angles P-C4'-P energy: -52.525
tors. eta vs tors. theta energy: -96.058
Dist. restrs. and SS energy: 3.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -1196.531061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.531061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.897991 (E_RNA)
where:
Base-Base interactions energy: -844.932
where: short stacking energy: -333.807
Base-Backbone interact. energy: -4.281
local terms energy: -350.685066
where:
bonds (distance) C4'-P energy: -60.957
bonds (distance) P-C4' energy: -75.033
flat angles C4'-P-C4' energy: -74.210
flat angles P-C4'-P energy: -48.562
tors. eta vs tors. theta energy: -91.922
Dist. restrs. and SS energy: 3.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -1128.108889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.108889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.972434 (E_RNA)
where:
Base-Base interactions energy: -802.056
where: short stacking energy: -317.309
Base-Backbone interact. energy: -1.727
local terms energy: -329.189438
where:
bonds (distance) C4'-P energy: -63.652
bonds (distance) P-C4' energy: -55.430
flat angles C4'-P-C4' energy: -70.403
flat angles P-C4'-P energy: -55.805
tors. eta vs tors. theta energy: -83.899
Dist. restrs. and SS energy: 4.864 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -1111.483362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.483362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.324466 (E_RNA)
where:
Base-Base interactions energy: -783.298
where: short stacking energy: -298.015
Base-Backbone interact. energy: 0.002
local terms energy: -332.028566
where:
bonds (distance) C4'-P energy: -62.363
bonds (distance) P-C4' energy: -60.474
flat angles C4'-P-C4' energy: -75.555
flat angles P-C4'-P energy: -56.938
tors. eta vs tors. theta energy: -76.699
Dist. restrs. and SS energy: 3.841 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -988.059569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.059569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.229116 (E_RNA)
where:
Base-Base interactions energy: -695.081
where: short stacking energy: -261.606
Base-Backbone interact. energy: -1.160
local terms energy: -296.988560
where:
bonds (distance) C4'-P energy: -61.889
bonds (distance) P-C4' energy: -55.474
flat angles C4'-P-C4' energy: -61.690
flat angles P-C4'-P energy: -52.980
tors. eta vs tors. theta energy: -64.956
Dist. restrs. and SS energy: 5.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -996.422430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.422430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.909973 (E_RNA)
where:
Base-Base interactions energy: -687.806
where: short stacking energy: -282.440
Base-Backbone interact. energy: -2.882
local terms energy: -311.221302
where:
bonds (distance) C4'-P energy: -54.467
bonds (distance) P-C4' energy: -64.071
flat angles C4'-P-C4' energy: -70.853
flat angles P-C4'-P energy: -51.589
tors. eta vs tors. theta energy: -70.242
Dist. restrs. and SS energy: 5.488 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -933.011951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.011951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.350816 (E_RNA)
where:
Base-Base interactions energy: -654.392
where: short stacking energy: -263.494
Base-Backbone interact. energy: -1.250
local terms energy: -285.708700
where:
bonds (distance) C4'-P energy: -67.437
bonds (distance) P-C4' energy: -60.181
flat angles C4'-P-C4' energy: -54.271
flat angles P-C4'-P energy: -42.041
tors. eta vs tors. theta energy: -61.778
Dist. restrs. and SS energy: 8.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -837.025086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.025086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.506817 (E_RNA)
where:
Base-Base interactions energy: -582.469
where: short stacking energy: -218.897
Base-Backbone interact. energy: -1.878
local terms energy: -259.159541
where:
bonds (distance) C4'-P energy: -61.651
bonds (distance) P-C4' energy: -50.973
flat angles C4'-P-C4' energy: -59.062
flat angles P-C4'-P energy: -31.524
tors. eta vs tors. theta energy: -55.950
Dist. restrs. and SS energy: 6.482 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -809.433006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.433006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.572662 (E_RNA)
where:
Base-Base interactions energy: -578.511
where: short stacking energy: -233.667
Base-Backbone interact. energy: -0.997
local terms energy: -238.065030
where:
bonds (distance) C4'-P energy: -41.646
bonds (distance) P-C4' energy: -56.756
flat angles C4'-P-C4' energy: -62.195
flat angles P-C4'-P energy: -27.171
tors. eta vs tors. theta energy: -50.297
Dist. restrs. and SS energy: 8.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -801.102961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.102961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.939691 (E_RNA)
where:
Base-Base interactions energy: -555.378
where: short stacking energy: -212.299
Base-Backbone interact. energy: 0.384
local terms energy: -256.945141
where:
bonds (distance) C4'-P energy: -47.007
bonds (distance) P-C4' energy: -51.740
flat angles C4'-P-C4' energy: -66.419
flat angles P-C4'-P energy: -42.634
tors. eta vs tors. theta energy: -49.144
Dist. restrs. and SS energy: 10.837 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -1202.650900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.650900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.381065 (E_RNA)
where:
Base-Base interactions energy: -833.841
where: short stacking energy: -343.056
Base-Backbone interact. energy: -1.526
local terms energy: -371.013458
where:
bonds (distance) C4'-P energy: -60.885
bonds (distance) P-C4' energy: -73.595
flat angles C4'-P-C4' energy: -82.223
flat angles P-C4'-P energy: -57.244
tors. eta vs tors. theta energy: -97.066
Dist. restrs. and SS energy: 3.730 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -1159.986275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.986275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.066329 (E_RNA)
where:
Base-Base interactions energy: -822.202
where: short stacking energy: -336.849
Base-Backbone interact. energy: -0.723
local terms energy: -340.141780
where:
bonds (distance) C4'-P energy: -62.762
bonds (distance) P-C4' energy: -69.196
flat angles C4'-P-C4' energy: -71.531
flat angles P-C4'-P energy: -41.484
tors. eta vs tors. theta energy: -95.169
Dist. restrs. and SS energy: 3.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -1154.633747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.633747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.912769 (E_RNA)
where:
Base-Base interactions energy: -814.670
where: short stacking energy: -326.733
Base-Backbone interact. energy: -2.659
local terms energy: -342.583577
where:
bonds (distance) C4'-P energy: -63.451
bonds (distance) P-C4' energy: -59.034
flat angles C4'-P-C4' energy: -76.412
flat angles P-C4'-P energy: -57.488
tors. eta vs tors. theta energy: -86.199
Dist. restrs. and SS energy: 5.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -1073.799848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.799848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.461430 (E_RNA)
where:
Base-Base interactions energy: -745.814
where: short stacking energy: -311.930
Base-Backbone interact. energy: -2.229
local terms energy: -329.418847
where:
bonds (distance) C4'-P energy: -65.948
bonds (distance) P-C4' energy: -57.262
flat angles C4'-P-C4' energy: -64.151
flat angles P-C4'-P energy: -53.300
tors. eta vs tors. theta energy: -88.758
Dist. restrs. and SS energy: 3.662 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -1026.689347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.689347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.925994 (E_RNA)
where:
Base-Base interactions energy: -721.329
where: short stacking energy: -286.697
Base-Backbone interact. energy: -1.168
local terms energy: -310.429700
where:
bonds (distance) C4'-P energy: -49.107
bonds (distance) P-C4' energy: -70.991
flat angles C4'-P-C4' energy: -69.968
flat angles P-C4'-P energy: -45.217
tors. eta vs tors. theta energy: -75.148
Dist. restrs. and SS energy: 6.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -961.805046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.805046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.020884 (E_RNA)
where:
Base-Base interactions energy: -669.434
where: short stacking energy: -276.160
Base-Backbone interact. energy: -0.014
local terms energy: -297.573039
where:
bonds (distance) C4'-P energy: -56.641
bonds (distance) P-C4' energy: -63.067
flat angles C4'-P-C4' energy: -67.557
flat angles P-C4'-P energy: -38.318
tors. eta vs tors. theta energy: -71.990
Dist. restrs. and SS energy: 5.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -931.472307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.472307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.652437 (E_RNA)
where:
Base-Base interactions energy: -650.104
where: short stacking energy: -262.482
Base-Backbone interact. energy: -0.957
local terms energy: -284.591270
where:
bonds (distance) C4'-P energy: -55.204
bonds (distance) P-C4' energy: -61.173
flat angles C4'-P-C4' energy: -63.034
flat angles P-C4'-P energy: -40.336
tors. eta vs tors. theta energy: -64.845
Dist. restrs. and SS energy: 4.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -843.375785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.375785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.034130 (E_RNA)
where:
Base-Base interactions energy: -589.490
where: short stacking energy: -220.020
Base-Backbone interact. energy: -0.117
local terms energy: -264.427166
where:
bonds (distance) C4'-P energy: -52.569
bonds (distance) P-C4' energy: -65.756
flat angles C4'-P-C4' energy: -62.636
flat angles P-C4'-P energy: -42.830
tors. eta vs tors. theta energy: -40.637
Dist. restrs. and SS energy: 10.658 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -826.376397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.376397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.272999 (E_RNA)
where:
Base-Base interactions energy: -587.818
where: short stacking energy: -229.937
Base-Backbone interact. energy: -1.401
local terms energy: -254.053417
where:
bonds (distance) C4'-P energy: -45.965
bonds (distance) P-C4' energy: -45.186
flat angles C4'-P-C4' energy: -63.146
flat angles P-C4'-P energy: -40.957
tors. eta vs tors. theta energy: -58.801
Dist. restrs. and SS energy: 16.897 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -840.296015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.296015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.364549 (E_RNA)
where:
Base-Base interactions energy: -590.905
where: short stacking energy: -237.792
Base-Backbone interact. energy: -1.346
local terms energy: -254.114140
where:
bonds (distance) C4'-P energy: -34.555
bonds (distance) P-C4' energy: -56.052
flat angles C4'-P-C4' energy: -56.534
flat angles P-C4'-P energy: -40.787
tors. eta vs tors. theta energy: -66.187
Dist. restrs. and SS energy: 6.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -1211.147351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.147351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.793407 (E_RNA)
where:
Base-Base interactions energy: -848.156
where: short stacking energy: -343.460
Base-Backbone interact. energy: -0.041
local terms energy: -365.596486
where:
bonds (distance) C4'-P energy: -66.037
bonds (distance) P-C4' energy: -60.494
flat angles C4'-P-C4' energy: -85.008
flat angles P-C4'-P energy: -57.881
tors. eta vs tors. theta energy: -96.176
Dist. restrs. and SS energy: 2.646 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -1172.381095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.381095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.562895 (E_RNA)
where:
Base-Base interactions energy: -834.113
where: short stacking energy: -326.892
Base-Backbone interact. energy: 3.668
local terms energy: -345.118637
where:
bonds (distance) C4'-P energy: -70.382
bonds (distance) P-C4' energy: -63.477
flat angles C4'-P-C4' energy: -69.575
flat angles P-C4'-P energy: -49.319
tors. eta vs tors. theta energy: -92.365
Dist. restrs. and SS energy: 3.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -1160.082709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.082709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.226793 (E_RNA)
where:
Base-Base interactions energy: -830.403
where: short stacking energy: -342.018
Base-Backbone interact. energy: -2.178
local terms energy: -330.646424
where:
bonds (distance) C4'-P energy: -53.987
bonds (distance) P-C4' energy: -57.889
flat angles C4'-P-C4' energy: -74.658
flat angles P-C4'-P energy: -53.256
tors. eta vs tors. theta energy: -90.856
Dist. restrs. and SS energy: 3.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -1051.020896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.020896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.260277 (E_RNA)
where:
Base-Base interactions energy: -736.447
where: short stacking energy: -300.103
Base-Backbone interact. energy: -0.405
local terms energy: -318.407849
where:
bonds (distance) C4'-P energy: -57.102
bonds (distance) P-C4' energy: -62.451
flat angles C4'-P-C4' energy: -73.401
flat angles P-C4'-P energy: -42.251
tors. eta vs tors. theta energy: -83.202
Dist. restrs. and SS energy: 4.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -1004.793725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.793725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.342196 (E_RNA)
where:
Base-Base interactions energy: -693.168
where: short stacking energy: -273.957
Base-Backbone interact. energy: 2.125
local terms energy: -318.298694
where:
bonds (distance) C4'-P energy: -63.448
bonds (distance) P-C4' energy: -62.315
flat angles C4'-P-C4' energy: -67.723
flat angles P-C4'-P energy: -46.250
tors. eta vs tors. theta energy: -78.563
Dist. restrs. and SS energy: 4.548 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -985.887152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.887152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.112405 (E_RNA)
where:
Base-Base interactions energy: -694.180
where: short stacking energy: -285.173
Base-Backbone interact. energy: -1.972
local terms energy: -292.960772
where:
bonds (distance) C4'-P energy: -53.659
bonds (distance) P-C4' energy: -65.732
flat angles C4'-P-C4' energy: -62.340
flat angles P-C4'-P energy: -44.955
tors. eta vs tors. theta energy: -66.275
Dist. restrs. and SS energy: 3.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -930.601690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.601690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.747528 (E_RNA)
where:
Base-Base interactions energy: -651.396
where: short stacking energy: -260.791
Base-Backbone interact. energy: -0.976
local terms energy: -281.375669
where:
bonds (distance) C4'-P energy: -54.791
bonds (distance) P-C4' energy: -61.851
flat angles C4'-P-C4' energy: -63.631
flat angles P-C4'-P energy: -31.821
tors. eta vs tors. theta energy: -69.283
Dist. restrs. and SS energy: 3.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -866.585972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.585972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.142759 (E_RNA)
where:
Base-Base interactions energy: -637.068
where: short stacking energy: -251.496
Base-Backbone interact. energy: 0.600
local terms energy: -240.675447
where:
bonds (distance) C4'-P energy: -49.943
bonds (distance) P-C4' energy: -50.119
flat angles C4'-P-C4' energy: -57.966
flat angles P-C4'-P energy: -29.910
tors. eta vs tors. theta energy: -52.737
Dist. restrs. and SS energy: 10.557 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -877.964558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.964558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.512297 (E_RNA)
where:
Base-Base interactions energy: -606.879
where: short stacking energy: -245.022
Base-Backbone interact. energy: -0.263
local terms energy: -277.369876
where:
bonds (distance) C4'-P energy: -44.211
bonds (distance) P-C4' energy: -67.694
flat angles C4'-P-C4' energy: -63.131
flat angles P-C4'-P energy: -44.567
tors. eta vs tors. theta energy: -57.766
Dist. restrs. and SS energy: 6.548 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -824.652952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.652952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.252153 (E_RNA)
where:
Base-Base interactions energy: -552.464
where: short stacking energy: -227.594
Base-Backbone interact. energy: 2.857
local terms energy: -283.645122
where:
bonds (distance) C4'-P energy: -58.491
bonds (distance) P-C4' energy: -66.629
flat angles C4'-P-C4' energy: -57.496
flat angles P-C4'-P energy: -41.360
tors. eta vs tors. theta energy: -59.670
Dist. restrs. and SS energy: 8.599 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -1216.811826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.811826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.694402 (E_RNA)
where:
Base-Base interactions energy: -857.318
where: short stacking energy: -353.867
Base-Backbone interact. energy: -0.107
local terms energy: -362.269274
where:
bonds (distance) C4'-P energy: -64.577
bonds (distance) P-C4' energy: -69.294
flat angles C4'-P-C4' energy: -73.966
flat angles P-C4'-P energy: -52.937
tors. eta vs tors. theta energy: -101.496
Dist. restrs. and SS energy: 2.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -1184.888788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.888788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.340653 (E_RNA)
where:
Base-Base interactions energy: -847.068
where: short stacking energy: -336.319
Base-Backbone interact. energy: 0.638
local terms energy: -341.910951
where:
bonds (distance) C4'-P energy: -63.569
bonds (distance) P-C4' energy: -71.290
flat angles C4'-P-C4' energy: -69.390
flat angles P-C4'-P energy: -44.297
tors. eta vs tors. theta energy: -93.365
Dist. restrs. and SS energy: 3.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -1140.908163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.908163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.362022 (E_RNA)
where:
Base-Base interactions energy: -805.676
where: short stacking energy: -334.909
Base-Backbone interact. energy: 0.731
local terms energy: -339.417031
where:
bonds (distance) C4'-P energy: -62.369
bonds (distance) P-C4' energy: -65.497
flat angles C4'-P-C4' energy: -72.774
flat angles P-C4'-P energy: -52.107
tors. eta vs tors. theta energy: -86.670
Dist. restrs. and SS energy: 3.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -1060.820661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.820661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.775677 (E_RNA)
where:
Base-Base interactions energy: -732.133
where: short stacking energy: -302.248
Base-Backbone interact. energy: -3.070
local terms energy: -330.572220
where:
bonds (distance) C4'-P energy: -64.788
bonds (distance) P-C4' energy: -62.338
flat angles C4'-P-C4' energy: -66.836
flat angles P-C4'-P energy: -50.091
tors. eta vs tors. theta energy: -86.519
Dist. restrs. and SS energy: 4.955 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -1042.576619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.576619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.471830 (E_RNA)
where:
Base-Base interactions energy: -721.829
where: short stacking energy: -278.260
Base-Backbone interact. energy: -3.378
local terms energy: -320.264555
where:
bonds (distance) C4'-P energy: -55.206
bonds (distance) P-C4' energy: -64.869
flat angles C4'-P-C4' energy: -70.008
flat angles P-C4'-P energy: -47.815
tors. eta vs tors. theta energy: -82.367
Dist. restrs. and SS energy: 2.895 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -961.969482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.969482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.873854 (E_RNA)
where:
Base-Base interactions energy: -689.318
where: short stacking energy: -285.510
Base-Backbone interact. energy: 3.653
local terms energy: -282.208170
where:
bonds (distance) C4'-P energy: -42.989
bonds (distance) P-C4' energy: -60.931
flat angles C4'-P-C4' energy: -66.025
flat angles P-C4'-P energy: -44.266
tors. eta vs tors. theta energy: -67.997
Dist. restrs. and SS energy: 5.904 (S_DIST_RNA)
chem. 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: -943.257377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.257377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.233943 (E_RNA)
where:
Base-Base interactions energy: -664.688
where: short stacking energy: -259.592
Base-Backbone interact. energy: -1.296
local terms energy: -282.249724
where:
bonds (distance) C4'-P energy: -47.187
bonds (distance) P-C4' energy: -68.762
flat angles C4'-P-C4' energy: -54.630
flat angles P-C4'-P energy: -41.891
tors. eta vs tors. theta energy: -69.780
Dist. restrs. and SS energy: 4.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -897.268823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.268823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.615094 (E_RNA)
where:
Base-Base interactions energy: -628.842
where: short stacking energy: -251.991
Base-Backbone interact. energy: -0.450
local terms energy: -272.323662
where:
bonds (distance) C4'-P energy: -62.760
bonds (distance) P-C4' energy: -62.163
flat angles C4'-P-C4' energy: -60.643
flat angles P-C4'-P energy: -31.278
tors. eta vs tors. theta energy: -55.479
Dist. restrs. and SS energy: 4.346 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -853.988694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.988694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.934519 (E_RNA)
where:
Base-Base interactions energy: -585.355
where: short stacking energy: -228.334
Base-Backbone interact. energy: 0.913
local terms energy: -275.492681
where:
bonds (distance) C4'-P energy: -61.495
bonds (distance) P-C4' energy: -60.336
flat angles C4'-P-C4' energy: -58.634
flat angles P-C4'-P energy: -36.601
tors. eta vs tors. theta energy: -58.427
Dist. restrs. and SS energy: 5.946 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -864.565540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.565540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.610255 (E_RNA)
where:
Base-Base interactions energy: -610.411
where: short stacking energy: -245.833
Base-Backbone interact. energy: -1.032
local terms energy: -257.167464
where:
bonds (distance) C4'-P energy: -49.391
bonds (distance) P-C4' energy: -55.021
flat angles C4'-P-C4' energy: -64.394
flat angles P-C4'-P energy: -41.024
tors. eta vs tors. theta energy: -47.338
Dist. restrs. and SS energy: 4.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -1210.397290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.397290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.562314 (E_RNA)
where:
Base-Base interactions energy: -833.646
where: short stacking energy: -336.221
Base-Backbone interact. energy: -3.029
local terms energy: -376.887067
where:
bonds (distance) C4'-P energy: -62.256
bonds (distance) P-C4' energy: -71.386
flat angles C4'-P-C4' energy: -80.972
flat angles P-C4'-P energy: -55.940
tors. eta vs tors. theta energy: -106.333
Dist. restrs. and SS energy: 3.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -1206.007929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.007929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.974062 (E_RNA)
where:
Base-Base interactions energy: -849.862
where: short stacking energy: -333.414
Base-Backbone interact. energy: -3.118
local terms energy: -355.993506
where:
bonds (distance) C4'-P energy: -57.169
bonds (distance) P-C4' energy: -69.151
flat angles C4'-P-C4' energy: -78.265
flat angles P-C4'-P energy: -54.925
tors. eta vs tors. theta energy: -96.484
Dist. restrs. and SS energy: 2.966 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -1132.448047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.448047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.717313 (E_RNA)
where:
Base-Base interactions energy: -789.098
where: short stacking energy: -313.244
Base-Backbone interact. energy: -2.658
local terms energy: -344.961549
where:
bonds (distance) C4'-P energy: -65.289
bonds (distance) P-C4' energy: -61.641
flat angles C4'-P-C4' energy: -72.598
flat angles P-C4'-P energy: -52.509
tors. eta vs tors. theta energy: -92.923
Dist. restrs. and SS energy: 4.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -1062.571377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.571377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.770137 (E_RNA)
where:
Base-Base interactions energy: -745.607
where: short stacking energy: -307.538
Base-Backbone interact. energy: -2.850
local terms energy: -317.312852
where:
bonds (distance) C4'-P energy: -62.842
bonds (distance) P-C4' energy: -55.778
flat angles C4'-P-C4' energy: -67.373
flat angles P-C4'-P energy: -50.219
tors. eta vs tors. theta energy: -81.100
Dist. restrs. and SS energy: 3.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -1004.963800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.963800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.238963 (E_RNA)
where:
Base-Base interactions energy: -714.792
where: short stacking energy: -293.050
Base-Backbone interact. energy: 0.451
local terms energy: -294.898005
where:
bonds (distance) C4'-P energy: -47.279
bonds (distance) P-C4' energy: -55.751
flat angles C4'-P-C4' energy: -66.211
flat angles P-C4'-P energy: -47.666
tors. eta vs tors. theta energy: -77.991
Dist. restrs. and SS energy: 4.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -943.146736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.146736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.983267 (E_RNA)
where:
Base-Base interactions energy: -635.428
where: short stacking energy: -246.167
Base-Backbone interact. energy: -0.944
local terms energy: -312.612188
where:
bonds (distance) C4'-P energy: -63.615
bonds (distance) P-C4' energy: -63.292
flat angles C4'-P-C4' energy: -67.597
flat angles P-C4'-P energy: -58.603
tors. eta vs tors. theta energy: -59.506
Dist. restrs. and SS energy: 5.837 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -940.672732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.672732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.195897 (E_RNA)
where:
Base-Base interactions energy: -657.570
where: short stacking energy: -267.641
Base-Backbone interact. energy: -1.010
local terms energy: -287.616501
where:
bonds (distance) C4'-P energy: -52.923
bonds (distance) P-C4' energy: -57.278
flat angles C4'-P-C4' energy: -69.797
flat angles P-C4'-P energy: -46.548
tors. eta vs tors. theta energy: -61.071
Dist. restrs. and SS energy: 5.523 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -879.960029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.960029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.256877 (E_RNA)
where:
Base-Base interactions energy: -610.046
where: short stacking energy: -256.536
Base-Backbone interact. energy: -2.258
local terms energy: -277.953018
where:
bonds (distance) C4'-P energy: -58.629
bonds (distance) P-C4' energy: -58.030
flat angles C4'-P-C4' energy: -68.106
flat angles P-C4'-P energy: -36.899
tors. eta vs tors. theta energy: -56.290
Dist. restrs. and SS energy: 10.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -824.620165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.620165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.272774 (E_RNA)
where:
Base-Base interactions energy: -589.175
where: short stacking energy: -226.670
Base-Backbone interact. energy: -1.364
local terms energy: -243.733739
where:
bonds (distance) C4'-P energy: -52.318
bonds (distance) P-C4' energy: -57.484
flat angles C4'-P-C4' energy: -53.094
flat angles P-C4'-P energy: -32.697
tors. eta vs tors. theta energy: -48.141
Dist. restrs. and SS energy: 9.653 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -873.927088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.927088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.629989 (E_RNA)
where:
Base-Base interactions energy: -622.386
where: short stacking energy: -241.694
Base-Backbone interact. energy: 2.009
local terms energy: -256.252517
where:
bonds (distance) C4'-P energy: -51.840
bonds (distance) P-C4' energy: -55.954
flat angles C4'-P-C4' energy: -59.481
flat angles P-C4'-P energy: -37.984
tors. eta vs tors. theta energy: -50.994
Dist. restrs. and SS energy: 2.703 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -1217.907053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.907053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.662379 (E_RNA)
where:
Base-Base interactions energy: -849.423
where: short stacking energy: -342.706
Base-Backbone interact. energy: -0.246
local terms energy: -370.992606
where:
bonds (distance) C4'-P energy: -67.059
bonds (distance) P-C4' energy: -70.016
flat angles C4'-P-C4' energy: -80.394
flat angles P-C4'-P energy: -52.797
tors. eta vs tors. theta energy: -100.727
Dist. restrs. and SS energy: 2.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -1194.284903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.284903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.008569 (E_RNA)
where:
Base-Base interactions energy: -825.275
where: short stacking energy: -335.251
Base-Backbone interact. energy: -2.494
local terms energy: -369.239812
where:
bonds (distance) C4'-P energy: -62.255
bonds (distance) P-C4' energy: -75.592
flat angles C4'-P-C4' energy: -75.391
flat angles P-C4'-P energy: -51.126
tors. eta vs tors. theta energy: -104.876
Dist. restrs. and SS energy: 2.724 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -1132.340163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.340163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.462227 (E_RNA)
where:
Base-Base interactions energy: -778.646
where: short stacking energy: -334.209
Base-Backbone interact. energy: -2.303
local terms energy: -354.513149
where:
bonds (distance) C4'-P energy: -66.062
bonds (distance) P-C4' energy: -72.221
flat angles C4'-P-C4' energy: -77.656
flat angles P-C4'-P energy: -41.547
tors. eta vs tors. theta energy: -97.027
Dist. restrs. and SS energy: 3.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -1068.801710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.801710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.532352 (E_RNA)
where:
Base-Base interactions energy: -752.662
where: short stacking energy: -307.033
Base-Backbone interact. energy: -1.644
local terms energy: -318.226463
where:
bonds (distance) C4'-P energy: -62.928
bonds (distance) P-C4' energy: -58.149
flat angles C4'-P-C4' energy: -66.378
flat angles P-C4'-P energy: -47.419
tors. eta vs tors. theta energy: -83.352
Dist. restrs. and SS energy: 3.731 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -1030.021983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.021983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.673756 (E_RNA)
where:
Base-Base interactions energy: -715.897
where: short stacking energy: -300.127
Base-Backbone interact. energy: -1.474
local terms energy: -319.302565
where:
bonds (distance) C4'-P energy: -58.563
bonds (distance) P-C4' energy: -64.751
flat angles C4'-P-C4' energy: -72.388
flat angles P-C4'-P energy: -47.927
tors. eta vs tors. theta energy: -75.673
Dist. restrs. and SS energy: 6.652 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -961.266456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.266456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.187684 (E_RNA)
where:
Base-Base interactions energy: -672.055
where: short stacking energy: -272.903
Base-Backbone interact. energy: -2.072
local terms energy: -292.060805
where:
bonds (distance) C4'-P energy: -59.319
bonds (distance) P-C4' energy: -50.199
flat angles C4'-P-C4' energy: -69.106
flat angles P-C4'-P energy: -44.273
tors. eta vs tors. theta energy: -69.164
Dist. restrs. and SS energy: 4.921 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -960.272271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.272271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.978123 (E_RNA)
where:
Base-Base interactions energy: -675.359
where: short stacking energy: -272.908
Base-Backbone interact. energy: 2.605
local terms energy: -292.223351
where:
bonds (distance) C4'-P energy: -54.419
bonds (distance) P-C4' energy: -55.895
flat angles C4'-P-C4' energy: -61.339
flat angles P-C4'-P energy: -55.165
tors. eta vs tors. theta energy: -65.405
Dist. restrs. and SS energy: 4.706 (S_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: -905.758776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.758776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.884433 (E_RNA)
where:
Base-Base interactions energy: -649.330
where: short stacking energy: -264.591
Base-Backbone interact. energy: 4.395
local terms energy: -270.949297
where:
bonds (distance) C4'-P energy: -46.066
bonds (distance) P-C4' energy: -62.664
flat angles C4'-P-C4' energy: -63.238
flat angles P-C4'-P energy: -33.529
tors. eta vs tors. theta energy: -65.452
Dist. restrs. and SS energy: 10.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -861.715931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.715931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.207424 (E_RNA)
where:
Base-Base interactions energy: -618.162
where: short stacking energy: -241.360
Base-Backbone interact. energy: -2.327
local terms energy: -246.718420
where:
bonds (distance) C4'-P energy: -54.898
bonds (distance) P-C4' energy: -59.439
flat angles C4'-P-C4' energy: -44.431
flat angles P-C4'-P energy: -25.147
tors. eta vs tors. theta energy: -62.803
Dist. restrs. and SS energy: 5.491 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -885.146564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.146564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.390099 (E_RNA)
where:
Base-Base interactions energy: -640.992
where: short stacking energy: -244.515
Base-Backbone interact. energy: 1.163
local terms energy: -248.560464
where:
bonds (distance) C4'-P energy: -59.782
bonds (distance) P-C4' energy: -38.940
flat angles C4'-P-C4' energy: -55.317
flat angles P-C4'-P energy: -33.575
tors. eta vs tors. theta energy: -60.946
Dist. restrs. and SS energy: 3.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -1229.850563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.850563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.115809 (E_RNA)
where:
Base-Base interactions energy: -879.627
where: short stacking energy: -355.729
Base-Backbone interact. energy: -2.116
local terms energy: -351.372679
where:
bonds (distance) C4'-P energy: -66.323
bonds (distance) P-C4' energy: -64.135
flat angles C4'-P-C4' energy: -75.460
flat angles P-C4'-P energy: -58.011
tors. eta vs tors. theta energy: -87.444
Dist. restrs. and SS energy: 3.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -1191.988974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.988974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.155355 (E_RNA)
where:
Base-Base interactions energy: -827.980
where: short stacking energy: -342.456
Base-Backbone interact. energy: -1.781
local terms energy: -365.394585
where:
bonds (distance) C4'-P energy: -61.625
bonds (distance) P-C4' energy: -66.711
flat angles C4'-P-C4' energy: -80.879
flat angles P-C4'-P energy: -55.832
tors. eta vs tors. theta energy: -100.348
Dist. restrs. and SS energy: 3.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -1171.805304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.805304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.637101 (E_RNA)
where:
Base-Base interactions energy: -810.640
where: short stacking energy: -348.940
Base-Backbone interact. energy: -1.288
local terms energy: -362.709165
where:
bonds (distance) C4'-P energy: -67.729
bonds (distance) P-C4' energy: -63.954
flat angles C4'-P-C4' energy: -78.984
flat angles P-C4'-P energy: -52.036
tors. eta vs tors. theta energy: -100.007
Dist. restrs. and SS energy: 2.832 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -1075.245548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.245548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.008097 (E_RNA)
where:
Base-Base interactions energy: -742.956
where: short stacking energy: -309.066
Base-Backbone interact. energy: 1.837
local terms energy: -337.889594
where:
bonds (distance) C4'-P energy: -63.186
bonds (distance) P-C4' energy: -58.349
flat angles C4'-P-C4' energy: -73.984
flat angles P-C4'-P energy: -54.052
tors. eta vs tors. theta energy: -88.319
Dist. restrs. and SS energy: 3.763 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -994.264606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.264606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.404450 (E_RNA)
where:
Base-Base interactions energy: -693.568
where: short stacking energy: -285.619
Base-Backbone interact. energy: -1.066
local terms energy: -302.770002
where:
bonds (distance) C4'-P energy: -61.583
bonds (distance) P-C4' energy: -54.319
flat angles C4'-P-C4' energy: -70.827
flat angles P-C4'-P energy: -35.194
tors. eta vs tors. theta energy: -80.846
Dist. restrs. and SS energy: 3.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -1004.368357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.368357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.863361 (E_RNA)
where:
Base-Base interactions energy: -716.322
where: short stacking energy: -288.368
Base-Backbone interact. energy: -3.956
local terms energy: -289.585767
where:
bonds (distance) C4'-P energy: -54.298
bonds (distance) P-C4' energy: -58.807
flat angles C4'-P-C4' energy: -54.745
flat angles P-C4'-P energy: -45.164
tors. eta vs tors. theta energy: -76.572
Dist. restrs. and SS energy: 5.495 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -952.809460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.809460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.727556 (E_RNA)
where:
Base-Base interactions energy: -679.732
where: short stacking energy: -273.694
Base-Backbone interact. energy: -1.098
local terms energy: -276.896856
where:
bonds (distance) C4'-P energy: -60.688
bonds (distance) P-C4' energy: -56.888
flat angles C4'-P-C4' energy: -53.908
flat angles P-C4'-P energy: -39.230
tors. eta vs tors. theta energy: -66.184
Dist. restrs. and SS energy: 4.918 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -918.587972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.587972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.917561 (E_RNA)
where:
Base-Base interactions energy: -626.293
where: short stacking energy: -261.912
Base-Backbone interact. energy: -0.719
local terms energy: -297.904929
where:
bonds (distance) C4'-P energy: -53.661
bonds (distance) P-C4' energy: -68.708
flat angles C4'-P-C4' energy: -64.243
flat angles P-C4'-P energy: -40.896
tors. eta vs tors. theta energy: -70.397
Dist. restrs. and SS energy: 6.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -889.330832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.330832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.243760 (E_RNA)
where:
Base-Base interactions energy: -642.736
where: short stacking energy: -244.528
Base-Backbone interact. energy: -1.237
local terms energy: -250.270219
where:
bonds (distance) C4'-P energy: -54.831
bonds (distance) P-C4' energy: -52.499
flat angles C4'-P-C4' energy: -53.235
flat angles P-C4'-P energy: -34.368
tors. eta vs tors. theta energy: -55.337
Dist. restrs. and SS energy: 4.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -826.898880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.898880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.342580 (E_RNA)
where:
Base-Base interactions energy: -589.439
where: short stacking energy: -238.227
Base-Backbone interact. energy: -1.864
local terms energy: -244.040186
where:
bonds (distance) C4'-P energy: -62.737
bonds (distance) P-C4' energy: -53.624
flat angles C4'-P-C4' energy: -43.234
flat angles P-C4'-P energy: -34.287
tors. eta vs tors. theta energy: -50.159
Dist. restrs. and SS energy: 8.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -1216.845631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.845631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.469834 (E_RNA)
where:
Base-Base interactions energy: -855.812
where: short stacking energy: -336.123
Base-Backbone interact. energy: -1.802
local terms energy: -361.856229
where:
bonds (distance) C4'-P energy: -72.811
bonds (distance) P-C4' energy: -74.125
flat angles C4'-P-C4' energy: -75.265
flat angles P-C4'-P energy: -43.522
tors. eta vs tors. theta energy: -96.132
Dist. restrs. and SS energy: 2.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -1191.354598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.354598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.510419 (E_RNA)
where:
Base-Base interactions energy: -855.370
where: short stacking energy: -354.298
Base-Backbone interact. energy: -1.413
local terms energy: -337.726829
where:
bonds (distance) C4'-P energy: -51.255
bonds (distance) P-C4' energy: -66.767
flat angles C4'-P-C4' energy: -66.548
flat angles P-C4'-P energy: -54.611
tors. eta vs tors. theta energy: -98.547
Dist. restrs. and SS energy: 3.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -1172.177433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.177433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.292377 (E_RNA)
where:
Base-Base interactions energy: -829.503
where: short stacking energy: -329.239
Base-Backbone interact. energy: -1.364
local terms energy: -347.425862
where:
bonds (distance) C4'-P energy: -62.725
bonds (distance) P-C4' energy: -72.764
flat angles C4'-P-C4' energy: -66.017
flat angles P-C4'-P energy: -55.723
tors. eta vs tors. theta energy: -90.196
Dist. restrs. and SS energy: 6.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -1085.881608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.881608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.571338 (E_RNA)
where:
Base-Base interactions energy: -756.988
where: short stacking energy: -308.871
Base-Backbone interact. energy: 0.422
local terms energy: -332.005729
where:
bonds (distance) C4'-P energy: -60.491
bonds (distance) P-C4' energy: -68.571
flat angles C4'-P-C4' energy: -70.619
flat angles P-C4'-P energy: -46.120
tors. eta vs tors. theta energy: -86.204
Dist. restrs. and SS energy: 2.690 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -968.970654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.970654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.197495 (E_RNA)
where:
Base-Base interactions energy: -669.226
where: short stacking energy: -269.162
Base-Backbone interact. energy: -0.697
local terms energy: -302.274228
where:
bonds (distance) C4'-P energy: -61.687
bonds (distance) P-C4' energy: -58.784
flat angles C4'-P-C4' energy: -66.549
flat angles P-C4'-P energy: -50.265
tors. eta vs tors. theta energy: -64.988
Dist. restrs. and SS energy: 3.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -957.679876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.679876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.030526 (E_RNA)
where:
Base-Base interactions energy: -665.562
where: short stacking energy: -265.758
Base-Backbone interact. energy: -2.873
local terms energy: -292.595869
where:
bonds (distance) C4'-P energy: -53.538
bonds (distance) P-C4' energy: -57.214
flat angles C4'-P-C4' energy: -76.242
flat angles P-C4'-P energy: -38.707
tors. eta vs tors. theta energy: -66.894
Dist. restrs. and SS energy: 3.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -960.199147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.199147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.569344 (E_RNA)
where:
Base-Base interactions energy: -691.396
where: short stacking energy: -280.505
Base-Backbone interact. energy: 2.769
local terms energy: -281.943031
where:
bonds (distance) C4'-P energy: -42.395
bonds (distance) P-C4' energy: -62.175
flat angles C4'-P-C4' energy: -72.863
flat angles P-C4'-P energy: -34.174
tors. eta vs tors. theta energy: -70.335
Dist. restrs. and SS energy: 10.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -883.791979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.791979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.761112 (E_RNA)
where:
Base-Base interactions energy: -617.670
where: short stacking energy: -255.434
Base-Backbone interact. energy: -1.579
local terms energy: -274.512378
where:
bonds (distance) C4'-P energy: -57.585
bonds (distance) P-C4' energy: -60.302
flat angles C4'-P-C4' energy: -65.846
flat angles P-C4'-P energy: -33.953
tors. eta vs tors. theta energy: -56.827
Dist. restrs. and SS energy: 9.969 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -857.225198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.225198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.868512 (E_RNA)
where:
Base-Base interactions energy: -600.153
where: short stacking energy: -227.923
Base-Backbone interact. energy: -1.346
local terms energy: -261.368831
where:
bonds (distance) C4'-P energy: -64.004
bonds (distance) P-C4' energy: -54.851
flat angles C4'-P-C4' energy: -58.703
flat angles P-C4'-P energy: -35.451
tors. eta vs tors. theta energy: -48.360
Dist. restrs. and SS energy: 5.643 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -841.195984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.195984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.017142 (E_RNA)
where:
Base-Base interactions energy: -604.189
where: short stacking energy: -237.776
Base-Backbone interact. energy: -1.007
local terms energy: -241.821236
where:
bonds (distance) C4'-P energy: -40.452
bonds (distance) P-C4' energy: -64.496
flat angles C4'-P-C4' energy: -51.030
flat angles P-C4'-P energy: -44.553
tors. eta vs tors. theta energy: -41.290
Dist. restrs. and SS energy: 5.821 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -1222.429718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.429718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.410279 (E_RNA)
where:
Base-Base interactions energy: -862.324
where: short stacking energy: -348.028
Base-Backbone interact. energy: 1.176
local terms energy: -364.262932
where:
bonds (distance) C4'-P energy: -69.023
bonds (distance) P-C4' energy: -74.419
flat angles C4'-P-C4' energy: -72.846
flat angles P-C4'-P energy: -54.142
tors. eta vs tors. theta energy: -93.834
Dist. restrs. and SS energy: 2.981 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -1190.274981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.274981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.589406 (E_RNA)
where:
Base-Base interactions energy: -834.812
where: short stacking energy: -330.863
Base-Backbone interact. energy: -1.370
local terms energy: -357.407200
where:
bonds (distance) C4'-P energy: -61.814
bonds (distance) P-C4' energy: -67.617
flat angles C4'-P-C4' energy: -77.930
flat angles P-C4'-P energy: -46.950
tors. eta vs tors. theta energy: -103.096
Dist. restrs. and SS energy: 3.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -1166.193202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.193202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.317553 (E_RNA)
where:
Base-Base interactions energy: -809.292
where: short stacking energy: -324.261
Base-Backbone interact. energy: -2.742
local terms energy: -359.283553
where:
bonds (distance) C4'-P energy: -68.315
bonds (distance) P-C4' energy: -70.784
flat angles C4'-P-C4' energy: -67.440
flat angles P-C4'-P energy: -59.080
tors. eta vs tors. theta energy: -93.665
Dist. restrs. and SS energy: 5.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -1074.949954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.949954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.979804 (E_RNA)
where:
Base-Base interactions energy: -754.145
where: short stacking energy: -315.869
Base-Backbone interact. energy: 0.060
local terms energy: -325.894619
where:
bonds (distance) C4'-P energy: -65.356
bonds (distance) P-C4' energy: -52.946
flat angles C4'-P-C4' energy: -68.652
flat angles P-C4'-P energy: -51.146
tors. eta vs tors. theta energy: -87.794
Dist. restrs. and SS energy: 5.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -1004.166215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.166215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.039869 (E_RNA)
where:
Base-Base interactions energy: -698.468
where: short stacking energy: -280.598
Base-Backbone interact. energy: -0.898
local terms energy: -307.674442
where:
bonds (distance) C4'-P energy: -63.443
bonds (distance) P-C4' energy: -66.427
flat angles C4'-P-C4' energy: -70.194
flat angles P-C4'-P energy: -37.663
tors. eta vs tors. theta energy: -69.948
Dist. restrs. and SS energy: 2.874 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -978.242249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.242249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.856332 (E_RNA)
where:
Base-Base interactions energy: -680.381
where: short stacking energy: -283.768
Base-Backbone interact. energy: -1.125
local terms energy: -301.349867
where:
bonds (distance) C4'-P energy: -63.663
bonds (distance) P-C4' energy: -57.502
flat angles C4'-P-C4' energy: -65.738
flat angles P-C4'-P energy: -41.961
tors. eta vs tors. theta energy: -72.485
Dist. restrs. and SS energy: 4.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -953.275481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.275481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.232776 (E_RNA)
where:
Base-Base interactions energy: -653.187
where: short stacking energy: -256.144
Base-Backbone interact. energy: -0.100
local terms energy: -304.945003
where:
bonds (distance) C4'-P energy: -60.163
bonds (distance) P-C4' energy: -64.466
flat angles C4'-P-C4' energy: -60.382
flat angles P-C4'-P energy: -42.553
tors. eta vs tors. theta energy: -77.381
Dist. restrs. and SS energy: 4.957 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -909.474754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.474754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.088136 (E_RNA)
where:
Base-Base interactions energy: -629.112
where: short stacking energy: -248.015
Base-Backbone interact. energy: -0.844
local terms energy: -285.131711
where:
bonds (distance) C4'-P energy: -62.430
bonds (distance) P-C4' energy: -54.108
flat angles C4'-P-C4' energy: -58.479
flat angles P-C4'-P energy: -47.413
tors. eta vs tors. theta energy: -62.702
Dist. restrs. and SS energy: 5.613 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -886.923233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.923233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.867110 (E_RNA)
where:
Base-Base interactions energy: -624.965
where: short stacking energy: -259.177
Base-Backbone interact. energy: -0.235
local terms energy: -272.667147
where:
bonds (distance) C4'-P energy: -54.160
bonds (distance) P-C4' energy: -54.654
flat angles C4'-P-C4' energy: -67.140
flat angles P-C4'-P energy: -37.649
tors. eta vs tors. theta energy: -59.063
Dist. restrs. and SS energy: 10.944 (S_DIST_RNA)
chem. 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: -856.042517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.042517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.507476 (E_RNA)
where:
Base-Base interactions energy: -600.120
where: short stacking energy: -237.310
Base-Backbone interact. energy: -3.913
local terms energy: -258.474350
where:
bonds (distance) C4'-P energy: -59.510
bonds (distance) P-C4' energy: -53.876
flat angles C4'-P-C4' energy: -54.141
flat angles P-C4'-P energy: -34.895
tors. eta vs tors. theta energy: -56.053
Dist. restrs. and SS energy: 6.465 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -1224.470962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.470962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.300233 (E_RNA)
where:
Base-Base interactions energy: -862.482
where: short stacking energy: -336.234
Base-Backbone interact. energy: -2.267
local terms energy: -362.551155
where:
bonds (distance) C4'-P energy: -78.320
bonds (distance) P-C4' energy: -64.032
flat angles C4'-P-C4' energy: -76.636
flat angles P-C4'-P energy: -55.843
tors. eta vs tors. theta energy: -87.720
Dist. restrs. and SS energy: 2.829 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -1177.176266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.176266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.125384 (E_RNA)
where:
Base-Base interactions energy: -824.568
where: short stacking energy: -356.335
Base-Backbone interact. energy: -0.882
local terms energy: -355.675944
where:
bonds (distance) C4'-P energy: -68.519
bonds (distance) P-C4' energy: -64.883
flat angles C4'-P-C4' energy: -71.465
flat angles P-C4'-P energy: -46.063
tors. eta vs tors. theta energy: -104.745
Dist. restrs. and SS energy: 3.949 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -1126.077873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.077873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.455134 (E_RNA)
where:
Base-Base interactions energy: -758.832
where: short stacking energy: -324.844
Base-Backbone interact. energy: -2.190
local terms energy: -368.432247
where:
bonds (distance) C4'-P energy: -73.167
bonds (distance) P-C4' energy: -73.404
flat angles C4'-P-C4' energy: -74.994
flat angles P-C4'-P energy: -53.296
tors. eta vs tors. theta energy: -93.571
Dist. restrs. and SS energy: 3.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -1035.970812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.970812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.800358 (E_RNA)
where:
Base-Base interactions energy: -713.578
where: short stacking energy: -299.658
Base-Backbone interact. energy: -3.838
local terms energy: -322.384635
where:
bonds (distance) C4'-P energy: -67.923
bonds (distance) P-C4' energy: -69.723
flat angles C4'-P-C4' energy: -70.247
flat angles P-C4'-P energy: -43.274
tors. eta vs tors. theta energy: -71.218
Dist. restrs. and SS energy: 3.830 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -1003.944177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.944177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.670060 (E_RNA)
where:
Base-Base interactions energy: -692.385
where: short stacking energy: -276.648
Base-Backbone interact. energy: -1.858
local terms energy: -313.426730
where:
bonds (distance) C4'-P energy: -60.481
bonds (distance) P-C4' energy: -59.868
flat angles C4'-P-C4' energy: -64.956
flat angles P-C4'-P energy: -46.261
tors. eta vs tors. theta energy: -81.861
Dist. restrs. and SS energy: 3.726 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -945.934679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.934679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.028739 (E_RNA)
where:
Base-Base interactions energy: -667.548
where: short stacking energy: -259.076
Base-Backbone interact. energy: 0.069
local terms energy: -282.549054
where:
bonds (distance) C4'-P energy: -51.115
bonds (distance) P-C4' energy: -62.699
flat angles C4'-P-C4' energy: -57.744
flat angles P-C4'-P energy: -51.510
tors. eta vs tors. theta energy: -59.481
Dist. restrs. and SS energy: 4.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -942.703714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.703714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.865872 (E_RNA)
where:
Base-Base interactions energy: -662.978
where: short stacking energy: -261.356
Base-Backbone interact. energy: 3.481
local terms energy: -287.368753
where:
bonds (distance) C4'-P energy: -63.994
bonds (distance) P-C4' energy: -54.527
flat angles C4'-P-C4' energy: -58.501
flat angles P-C4'-P energy: -36.011
tors. eta vs tors. theta energy: -74.337
Dist. restrs. and SS energy: 4.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -921.757430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.757430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.150662 (E_RNA)
where:
Base-Base interactions energy: -639.314
where: short stacking energy: -269.730
Base-Backbone interact. energy: -1.508
local terms energy: -285.328407
where:
bonds (distance) C4'-P energy: -54.673
bonds (distance) P-C4' energy: -57.788
flat angles C4'-P-C4' energy: -62.712
flat angles P-C4'-P energy: -45.220
tors. eta vs tors. theta energy: -64.935
Dist. restrs. and SS energy: 4.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -875.517643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.517643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.470086 (E_RNA)
where:
Base-Base interactions energy: -620.511
where: short stacking energy: -218.945
Base-Backbone interact. energy: -2.156
local terms energy: -255.803196
where:
bonds (distance) C4'-P energy: -53.737
bonds (distance) P-C4' energy: -64.036
flat angles C4'-P-C4' energy: -53.964
flat angles P-C4'-P energy: -46.304
tors. eta vs tors. theta energy: -37.763
Dist. restrs. and SS energy: 2.952 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -842.019585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.019585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.438648 (E_RNA)
where:
Base-Base interactions energy: -592.737
where: short stacking energy: -232.562
Base-Backbone interact. energy: 2.016
local terms energy: -259.717820
where:
bonds (distance) C4'-P energy: -57.974
bonds (distance) P-C4' energy: -51.664
flat angles C4'-P-C4' energy: -58.849
flat angles P-C4'-P energy: -29.328
tors. eta vs tors. theta energy: -61.903
Dist. restrs. and SS energy: 8.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -1189.010635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.010635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.721594 (E_RNA)
where:
Base-Base interactions energy: -837.283
where: short stacking energy: -358.602
Base-Backbone interact. energy: -0.621
local terms energy: -353.817496
where:
bonds (distance) C4'-P energy: -58.562
bonds (distance) P-C4' energy: -66.111
flat angles C4'-P-C4' energy: -78.544
flat angles P-C4'-P energy: -50.876
tors. eta vs tors. theta energy: -99.724
Dist. restrs. and SS energy: 2.711 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -1193.680187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.680187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.405698 (E_RNA)
where:
Base-Base interactions energy: -843.544
where: short stacking energy: -321.793
Base-Backbone interact. energy: -3.210
local terms energy: -349.651100
where:
bonds (distance) C4'-P energy: -66.211
bonds (distance) P-C4' energy: -68.155
flat angles C4'-P-C4' energy: -79.310
flat angles P-C4'-P energy: -51.732
tors. eta vs tors. theta energy: -84.244
Dist. restrs. and SS energy: 2.726 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -1144.958719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.958719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.409227 (E_RNA)
where:
Base-Base interactions energy: -803.278
where: short stacking energy: -336.631
Base-Backbone interact. energy: -2.304
local terms energy: -342.826824
where:
bonds (distance) C4'-P energy: -72.623
bonds (distance) P-C4' energy: -62.011
flat angles C4'-P-C4' energy: -75.837
flat angles P-C4'-P energy: -41.438
tors. eta vs tors. theta energy: -90.917
Dist. restrs. and SS energy: 3.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -1062.040910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.040910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.520107 (E_RNA)
where:
Base-Base interactions energy: -742.456
where: short stacking energy: -299.007
Base-Backbone interact. energy: -3.171
local terms energy: -319.893624
where:
bonds (distance) C4'-P energy: -66.962
bonds (distance) P-C4' energy: -59.388
flat angles C4'-P-C4' energy: -68.785
flat angles P-C4'-P energy: -38.095
tors. eta vs tors. theta energy: -86.665
Dist. restrs. and SS energy: 3.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -1031.012183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.012183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.295182 (E_RNA)
where:
Base-Base interactions energy: -724.411
where: short stacking energy: -294.952
Base-Backbone interact. energy: -0.107
local terms energy: -309.776933
where:
bonds (distance) C4'-P energy: -58.394
bonds (distance) P-C4' energy: -65.161
flat angles C4'-P-C4' energy: -65.663
flat angles P-C4'-P energy: -39.630
tors. eta vs tors. theta energy: -80.929
Dist. restrs. and SS energy: 3.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -981.688322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.688322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.548155 (E_RNA)
where:
Base-Base interactions energy: -689.613
where: short stacking energy: -277.066
Base-Backbone interact. energy: 0.318
local terms energy: -296.252890
where:
bonds (distance) C4'-P energy: -61.144
bonds (distance) P-C4' energy: -59.116
flat angles C4'-P-C4' energy: -64.204
flat angles P-C4'-P energy: -38.566
tors. eta vs tors. theta energy: -73.223
Dist. restrs. and SS energy: 3.860 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -976.828929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.828929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.067760 (E_RNA)
where:
Base-Base interactions energy: -686.026
where: short stacking energy: -258.121
Base-Backbone interact. energy: -1.196
local terms energy: -292.845250
where:
bonds (distance) C4'-P energy: -51.191
bonds (distance) P-C4' energy: -53.782
flat angles C4'-P-C4' energy: -70.758
flat angles P-C4'-P energy: -44.386
tors. eta vs tors. theta energy: -72.729
Dist. restrs. and SS energy: 3.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -923.112102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.112102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.449464 (E_RNA)
where:
Base-Base interactions energy: -639.992
where: short stacking energy: -257.122
Base-Backbone interact. energy: -1.128
local terms energy: -288.328972
where:
bonds (distance) C4'-P energy: -60.971
bonds (distance) P-C4' energy: -51.449
flat angles C4'-P-C4' energy: -66.228
flat angles P-C4'-P energy: -44.852
tors. eta vs tors. theta energy: -64.829
Dist. restrs. and SS energy: 6.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -872.508782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.508782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.687060 (E_RNA)
where:
Base-Base interactions energy: -612.716
where: short stacking energy: -248.548
Base-Backbone interact. energy: -2.813
local terms energy: -263.157606
where:
bonds (distance) C4'-P energy: -44.759
bonds (distance) P-C4' energy: -60.164
flat angles C4'-P-C4' energy: -64.848
flat angles P-C4'-P energy: -38.770
tors. eta vs tors. theta energy: -54.617
Dist. restrs. and SS energy: 6.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -857.199387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.199387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.392614 (E_RNA)
where:
Base-Base interactions energy: -596.318
where: short stacking energy: -223.212
Base-Backbone interact. energy: -0.286
local terms energy: -268.789260
where:
bonds (distance) C4'-P energy: -51.234
bonds (distance) P-C4' energy: -54.441
flat angles C4'-P-C4' energy: -61.589
flat angles P-C4'-P energy: -48.000
tors. eta vs tors. theta energy: -53.525
Dist. restrs. and SS energy: 8.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -1203.263441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.263441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.427801 (E_RNA)
where:
Base-Base interactions energy: -847.204
where: short stacking energy: -357.632
Base-Backbone interact. energy: -1.215
local terms energy: -359.008681
where:
bonds (distance) C4'-P energy: -65.027
bonds (distance) P-C4' energy: -61.087
flat angles C4'-P-C4' energy: -75.384
flat angles P-C4'-P energy: -60.123
tors. eta vs tors. theta energy: -97.388
Dist. restrs. and SS energy: 4.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -1178.456406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.456406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.189033 (E_RNA)
where:
Base-Base interactions energy: -838.211
where: short stacking energy: -318.330
Base-Backbone interact. energy: 0.428
local terms energy: -343.405759
where:
bonds (distance) C4'-P energy: -67.759
bonds (distance) P-C4' energy: -76.775
flat angles C4'-P-C4' energy: -67.648
flat angles P-C4'-P energy: -44.302
tors. eta vs tors. theta energy: -86.922
Dist. restrs. and SS energy: 2.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -1144.494980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.494980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.447350 (E_RNA)
where:
Base-Base interactions energy: -809.540
where: short stacking energy: -338.771
Base-Backbone interact. energy: -0.352
local terms energy: -337.555454
where:
bonds (distance) C4'-P energy: -70.692
bonds (distance) P-C4' energy: -55.476
flat angles C4'-P-C4' energy: -70.659
flat angles P-C4'-P energy: -46.231
tors. eta vs tors. theta energy: -94.497
Dist. restrs. and SS energy: 2.952 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -1054.099820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.099820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.117417 (E_RNA)
where:
Base-Base interactions energy: -718.590
where: short stacking energy: -301.435
Base-Backbone interact. energy: -3.073
local terms energy: -335.454450
where:
bonds (distance) C4'-P energy: -67.828
bonds (distance) P-C4' energy: -69.659
flat angles C4'-P-C4' energy: -78.578
flat angles P-C4'-P energy: -41.809
tors. eta vs tors. theta energy: -77.580
Dist. restrs. and SS energy: 3.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -998.023358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.023358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.831307 (E_RNA)
where:
Base-Base interactions energy: -686.771
where: short stacking energy: -271.920
Base-Backbone interact. energy: -1.120
local terms energy: -314.939942
where:
bonds (distance) C4'-P energy: -67.836
bonds (distance) P-C4' energy: -61.279
flat angles C4'-P-C4' energy: -71.262
flat angles P-C4'-P energy: -44.225
tors. eta vs tors. theta energy: -70.338
Dist. restrs. and SS energy: 4.808 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -963.112190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.112190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.985941 (E_RNA)
where:
Base-Base interactions energy: -664.068
where: short stacking energy: -260.198
Base-Backbone interact. energy: -0.023
local terms energy: -301.895268
where:
bonds (distance) C4'-P energy: -61.930
bonds (distance) P-C4' energy: -61.263
flat angles C4'-P-C4' energy: -61.084
flat angles P-C4'-P energy: -48.475
tors. eta vs tors. theta energy: -69.144
Dist. restrs. and SS energy: 2.874 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -936.826414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.826414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.388970 (E_RNA)
where:
Base-Base interactions energy: -647.676
where: short stacking energy: -253.909
Base-Backbone interact. energy: -1.172
local terms energy: -295.540811
where:
bonds (distance) C4'-P energy: -57.231
bonds (distance) P-C4' energy: -66.025
flat angles C4'-P-C4' energy: -64.613
flat angles P-C4'-P energy: -45.955
tors. eta vs tors. theta energy: -61.717
Dist. restrs. and SS energy: 7.563 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -951.067639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.067639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.963518 (E_RNA)
where:
Base-Base interactions energy: -680.151
where: short stacking energy: -285.256
Base-Backbone interact. energy: 0.111
local terms energy: -277.923646
where:
bonds (distance) C4'-P energy: -41.231
bonds (distance) P-C4' energy: -59.892
flat angles C4'-P-C4' energy: -68.985
flat angles P-C4'-P energy: -33.591
tors. eta vs tors. theta energy: -74.225
Dist. restrs. and SS energy: 6.896 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -878.786101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.786101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.674759 (E_RNA)
where:
Base-Base interactions energy: -615.743
where: short stacking energy: -254.750
Base-Backbone interact. energy: -0.415
local terms energy: -273.517240
where:
bonds (distance) C4'-P energy: -55.094
bonds (distance) P-C4' energy: -57.828
flat angles C4'-P-C4' energy: -54.284
flat angles P-C4'-P energy: -44.987
tors. eta vs tors. theta energy: -61.324
Dist. restrs. and SS energy: 10.889 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -906.278400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.278400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.709409 (E_RNA)
where:
Base-Base interactions energy: -636.743
where: short stacking energy: -254.706
Base-Backbone interact. energy: -0.627
local terms energy: -273.339879
where:
bonds (distance) C4'-P energy: -60.438
bonds (distance) P-C4' energy: -48.413
flat angles C4'-P-C4' energy: -55.134
flat angles P-C4'-P energy: -40.971
tors. eta vs tors. theta energy: -68.384
Dist. restrs. and SS energy: 4.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -1205.504594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.504594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.548339 (E_RNA)
where:
Base-Base interactions energy: -852.445
where: short stacking energy: -349.574
Base-Backbone interact. energy: -3.775
local terms energy: -352.328377
where:
bonds (distance) C4'-P energy: -57.717
bonds (distance) P-C4' energy: -64.956
flat angles C4'-P-C4' energy: -73.427
flat angles P-C4'-P energy: -60.264
tors. eta vs tors. theta energy: -95.965
Dist. restrs. and SS energy: 3.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -1186.718054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.718054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.775502 (E_RNA)
where:
Base-Base interactions energy: -857.022
where: short stacking energy: -338.622
Base-Backbone interact. energy: -2.140
local terms energy: -330.612754
where:
bonds (distance) C4'-P energy: -53.965
bonds (distance) P-C4' energy: -70.646
flat angles C4'-P-C4' energy: -68.965
flat angles P-C4'-P energy: -51.567
tors. eta vs tors. theta energy: -85.469
Dist. restrs. and SS energy: 3.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -1137.618860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.618860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.536520 (E_RNA)
where:
Base-Base interactions energy: -781.195
where: short stacking energy: -328.851
Base-Backbone interact. energy: 3.546
local terms energy: -362.887202
where:
bonds (distance) C4'-P energy: -66.219
bonds (distance) P-C4' energy: -63.397
flat angles C4'-P-C4' energy: -73.805
flat angles P-C4'-P energy: -57.611
tors. eta vs tors. theta energy: -101.854
Dist. restrs. and SS energy: 2.918 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -1058.046624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.046624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.171892 (E_RNA)
where:
Base-Base interactions energy: -733.156
where: short stacking energy: -287.872
Base-Backbone interact. energy: -0.355
local terms energy: -328.660896
where:
bonds (distance) C4'-P energy: -53.757
bonds (distance) P-C4' energy: -65.690
flat angles C4'-P-C4' energy: -71.876
flat angles P-C4'-P energy: -45.409
tors. eta vs tors. theta energy: -91.929
Dist. restrs. and SS energy: 4.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -1019.837718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.837718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.002235 (E_RNA)
where:
Base-Base interactions energy: -711.412
where: short stacking energy: -288.770
Base-Backbone interact. energy: 1.587
local terms energy: -316.177858
where:
bonds (distance) C4'-P energy: -65.052
bonds (distance) P-C4' energy: -61.027
flat angles C4'-P-C4' energy: -66.294
flat angles P-C4'-P energy: -47.592
tors. eta vs tors. theta energy: -76.213
Dist. restrs. and SS energy: 6.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -958.250709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.250709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.466845 (E_RNA)
where:
Base-Base interactions energy: -688.897
where: short stacking energy: -271.802
Base-Backbone interact. energy: -3.666
local terms energy: -273.904169
where:
bonds (distance) C4'-P energy: -51.180
bonds (distance) P-C4' energy: -57.596
flat angles C4'-P-C4' energy: -59.787
flat angles P-C4'-P energy: -46.772
tors. eta vs tors. theta energy: -58.568
Dist. restrs. and SS energy: 8.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -938.389295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.389295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.355570 (E_RNA)
where:
Base-Base interactions energy: -649.763
where: short stacking energy: -261.867
Base-Backbone interact. energy: 0.356
local terms energy: -293.948802
where:
bonds (distance) C4'-P energy: -52.970
bonds (distance) P-C4' energy: -52.024
flat angles C4'-P-C4' energy: -68.701
flat angles P-C4'-P energy: -48.177
tors. eta vs tors. theta energy: -72.078
Dist. restrs. and SS energy: 4.966 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -951.131497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.131497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.591996 (E_RNA)
where:
Base-Base interactions energy: -659.764
where: short stacking energy: -278.449
Base-Backbone interact. energy: -1.296
local terms energy: -298.532081
where:
bonds (distance) C4'-P energy: -59.254
bonds (distance) P-C4' energy: -63.950
flat angles C4'-P-C4' energy: -64.987
flat angles P-C4'-P energy: -44.131
tors. eta vs tors. theta energy: -66.210
Dist. restrs. and SS energy: 8.460 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -888.546408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.546408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.194919 (E_RNA)
where:
Base-Base interactions energy: -644.368
where: short stacking energy: -260.982
Base-Backbone interact. energy: 2.716
local terms energy: -255.542833
where:
bonds (distance) C4'-P energy: -48.964
bonds (distance) P-C4' energy: -52.916
flat angles C4'-P-C4' energy: -62.882
flat angles P-C4'-P energy: -33.837
tors. eta vs tors. theta energy: -56.945
Dist. restrs. and SS energy: 8.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -848.739414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.739414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.712459 (E_RNA)
where:
Base-Base interactions energy: -611.145
where: short stacking energy: -225.554
Base-Backbone interact. energy: -1.474
local terms energy: -241.092864
where:
bonds (distance) C4'-P energy: -43.389
bonds (distance) P-C4' energy: -55.854
flat angles C4'-P-C4' energy: -54.503
flat angles P-C4'-P energy: -39.590
tors. eta vs tors. theta energy: -47.758
Dist. restrs. and SS energy: 4.973 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -1191.275010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.275010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.561069 (E_RNA)
where:
Base-Base interactions energy: -836.965
where: short stacking energy: -350.502
Base-Backbone interact. energy: -2.706
local terms energy: -354.890303
where:
bonds (distance) C4'-P energy: -69.899
bonds (distance) P-C4' energy: -65.744
flat angles C4'-P-C4' energy: -71.601
flat angles P-C4'-P energy: -52.822
tors. eta vs tors. theta energy: -94.825
Dist. restrs. and SS energy: 3.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -1183.052838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.052838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.218991 (E_RNA)
where:
Base-Base interactions energy: -837.172
where: short stacking energy: -323.923
Base-Backbone interact. energy: -1.307
local terms energy: -347.739433
where:
bonds (distance) C4'-P energy: -61.190
bonds (distance) P-C4' energy: -64.168
flat angles C4'-P-C4' energy: -80.918
flat angles P-C4'-P energy: -54.163
tors. eta vs tors. theta energy: -87.300
Dist. restrs. and SS energy: 3.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -1151.603902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.603902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.695218 (E_RNA)
where:
Base-Base interactions energy: -793.366
where: short stacking energy: -327.462
Base-Backbone interact. energy: -1.209
local terms energy: -360.120234
where:
bonds (distance) C4'-P energy: -70.568
bonds (distance) P-C4' energy: -71.534
flat angles C4'-P-C4' energy: -72.921
flat angles P-C4'-P energy: -44.708
tors. eta vs tors. theta energy: -100.390
Dist. restrs. and SS energy: 3.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -1024.763298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.763298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.399499 (E_RNA)
where:
Base-Base interactions energy: -715.909
where: short stacking energy: -276.157
Base-Backbone interact. energy: -1.102
local terms energy: -310.387860
where:
bonds (distance) C4'-P energy: -62.683
bonds (distance) P-C4' energy: -58.032
flat angles C4'-P-C4' energy: -64.510
flat angles P-C4'-P energy: -49.171
tors. eta vs tors. theta energy: -75.992
Dist. restrs. and SS energy: 2.636 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -1000.083715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.083715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.673597 (E_RNA)
where:
Base-Base interactions energy: -702.072
where: short stacking energy: -286.488
Base-Backbone interact. energy: 0.274
local terms energy: -303.875700
where:
bonds (distance) C4'-P energy: -61.187
bonds (distance) P-C4' energy: -60.706
flat angles C4'-P-C4' energy: -70.062
flat angles P-C4'-P energy: -34.839
tors. eta vs tors. theta energy: -77.081
Dist. restrs. and SS energy: 5.590 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -998.335267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.335267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.674468 (E_RNA)
where:
Base-Base interactions energy: -692.801
where: short stacking energy: -290.715
Base-Backbone interact. energy: 1.026
local terms energy: -312.898941
where:
bonds (distance) C4'-P energy: -66.985
bonds (distance) P-C4' energy: -54.912
flat angles C4'-P-C4' energy: -65.631
flat angles P-C4'-P energy: -45.926
tors. eta vs tors. theta energy: -79.445
Dist. restrs. and SS energy: 6.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -920.781793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.781793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.130324 (E_RNA)
where:
Base-Base interactions energy: -629.589
where: short stacking energy: -250.649
Base-Backbone interact. energy: -1.769
local terms energy: -294.772995
where:
bonds (distance) C4'-P energy: -58.256
bonds (distance) P-C4' energy: -64.970
flat angles C4'-P-C4' energy: -63.958
flat angles P-C4'-P energy: -38.287
tors. eta vs tors. theta energy: -69.302
Dist. restrs. and SS energy: 5.349 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -912.813140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.813140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.006033 (E_RNA)
where:
Base-Base interactions energy: -638.183
where: short stacking energy: -258.316
Base-Backbone interact. energy: -1.785
local terms energy: -286.038514
where:
bonds (distance) C4'-P energy: -64.105
bonds (distance) P-C4' energy: -49.971
flat angles C4'-P-C4' energy: -66.317
flat angles P-C4'-P energy: -43.213
tors. eta vs tors. theta energy: -62.433
Dist. restrs. and SS energy: 13.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -883.063876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.063876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.996080 (E_RNA)
where:
Base-Base interactions energy: -613.667
where: short stacking energy: -246.831
Base-Backbone interact. energy: 0.028
local terms energy: -276.357543
where:
bonds (distance) C4'-P energy: -63.246
bonds (distance) P-C4' energy: -62.107
flat angles C4'-P-C4' energy: -58.570
flat angles P-C4'-P energy: -28.761
tors. eta vs tors. theta energy: -63.674
Dist. restrs. and SS energy: 6.932 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -833.410103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.410103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.584305 (E_RNA)
where:
Base-Base interactions energy: -581.459
where: short stacking energy: -234.081
Base-Backbone interact. energy: 1.323
local terms energy: -259.448418
where:
bonds (distance) C4'-P energy: -60.251
bonds (distance) P-C4' energy: -51.102
flat angles C4'-P-C4' energy: -59.428
flat angles P-C4'-P energy: -36.843
tors. eta vs tors. theta energy: -51.824
Dist. restrs. and SS energy: 6.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -1202.738000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.738000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.344983 (E_RNA)
where:
Base-Base interactions energy: -836.080
where: short stacking energy: -334.430
Base-Backbone interact. energy: -2.106
local terms energy: -367.159590
where:
bonds (distance) C4'-P energy: -66.202
bonds (distance) P-C4' energy: -65.679
flat angles C4'-P-C4' energy: -78.843
flat angles P-C4'-P energy: -54.933
tors. eta vs tors. theta energy: -101.501
Dist. restrs. and SS energy: 2.607 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -1138.783412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.783412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.633714 (E_RNA)
where:
Base-Base interactions energy: -821.584
where: short stacking energy: -309.641
Base-Backbone interact. energy: -0.611
local terms energy: -319.438348
where:
bonds (distance) C4'-P energy: -56.755
bonds (distance) P-C4' energy: -55.061
flat angles C4'-P-C4' energy: -73.639
flat angles P-C4'-P energy: -50.572
tors. eta vs tors. theta energy: -83.410
Dist. restrs. and SS energy: 2.850 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -1163.009459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.009459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.213917 (E_RNA)
where:
Base-Base interactions energy: -818.973
where: short stacking energy: -339.112
Base-Backbone interact. energy: 0.318
local terms energy: -347.558345
where:
bonds (distance) C4'-P energy: -63.700
bonds (distance) P-C4' energy: -54.982
flat angles C4'-P-C4' energy: -73.985
flat angles P-C4'-P energy: -56.369
tors. eta vs tors. theta energy: -98.523
Dist. restrs. and SS energy: 3.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -1066.381497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.381497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.308709 (E_RNA)
where:
Base-Base interactions energy: -758.629
where: short stacking energy: -300.701
Base-Backbone interact. energy: -0.957
local terms energy: -309.723008
where:
bonds (distance) C4'-P energy: -67.760
bonds (distance) P-C4' energy: -52.547
flat angles C4'-P-C4' energy: -68.380
flat angles P-C4'-P energy: -48.677
tors. eta vs tors. theta energy: -72.358
Dist. restrs. and SS energy: 2.927 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -1015.121172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.121172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.383277 (E_RNA)
where:
Base-Base interactions energy: -723.950
where: short stacking energy: -294.212
Base-Backbone interact. energy: -2.278
local terms energy: -292.155616
where:
bonds (distance) C4'-P energy: -44.995
bonds (distance) P-C4' energy: -58.958
flat angles C4'-P-C4' energy: -67.737
flat angles P-C4'-P energy: -47.038
tors. eta vs tors. theta energy: -73.428
Dist. restrs. and SS energy: 3.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -972.610012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.610012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.966299 (E_RNA)
where:
Base-Base interactions energy: -669.316
where: short stacking energy: -261.255
Base-Backbone interact. energy: -2.808
local terms energy: -303.842601
where:
bonds (distance) C4'-P energy: -54.124
bonds (distance) P-C4' energy: -58.965
flat angles C4'-P-C4' energy: -67.629
flat angles P-C4'-P energy: -46.641
tors. eta vs tors. theta energy: -76.483
Dist. restrs. and SS energy: 3.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -947.556479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.556479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.395032 (E_RNA)
where:
Base-Base interactions energy: -656.491
where: short stacking energy: -272.262
Base-Backbone interact. energy: -0.137
local terms energy: -299.767343
where:
bonds (distance) C4'-P energy: -59.440
bonds (distance) P-C4' energy: -62.124
flat angles C4'-P-C4' energy: -67.455
flat angles P-C4'-P energy: -40.180
tors. eta vs tors. theta energy: -70.569
Dist. restrs. and SS energy: 8.839 (S_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: 200
Temperature: 1.250000
Total energy: -901.827142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.827142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.888198 (E_RNA)
where:
Base-Base interactions energy: -632.993
where: short stacking energy: -235.230
Base-Backbone interact. energy: 2.603
local terms energy: -281.497807
where:
bonds (distance) C4'-P energy: -61.554
bonds (distance) P-C4' energy: -70.653
flat angles C4'-P-C4' energy: -52.007
flat angles P-C4'-P energy: -45.077
tors. eta vs tors. theta energy: -52.207
Dist. restrs. and SS energy: 10.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -862.519426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.519426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.717762 (E_RNA)
where:
Base-Base interactions energy: -598.897
where: short stacking energy: -226.764
Base-Backbone interact. energy: -1.172
local terms energy: -268.648575
where:
bonds (distance) C4'-P energy: -42.462
bonds (distance) P-C4' energy: -60.101
flat angles C4'-P-C4' energy: -71.295
flat angles P-C4'-P energy: -38.640
tors. eta vs tors. theta energy: -56.150
Dist. restrs. and SS energy: 6.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -835.275661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.275661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.804826 (E_RNA)
where:
Base-Base interactions energy: -596.581
where: short stacking energy: -224.306
Base-Backbone interact. energy: -0.846
local terms energy: -245.377958
where:
bonds (distance) C4'-P energy: -59.264
bonds (distance) P-C4' energy: -52.781
flat angles C4'-P-C4' energy: -48.346
flat angles P-C4'-P energy: -38.664
tors. eta vs tors. theta energy: -46.323
Dist. restrs. and SS energy: 7.529 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -1211.131009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.131009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.279895 (E_RNA)
where:
Base-Base interactions energy: -845.536
where: short stacking energy: -340.614
Base-Backbone interact. energy: -1.530
local terms energy: -367.213135
where:
bonds (distance) C4'-P energy: -63.635
bonds (distance) P-C4' energy: -70.328
flat angles C4'-P-C4' energy: -78.982
flat angles P-C4'-P energy: -54.455
tors. eta vs tors. theta energy: -99.813
Dist. restrs. and SS energy: 3.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -1159.437520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.437520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.151640 (E_RNA)
where:
Base-Base interactions energy: -814.854
where: short stacking energy: -338.713
Base-Backbone interact. energy: -2.519
local terms energy: -344.778741
where:
bonds (distance) C4'-P energy: -72.749
bonds (distance) P-C4' energy: -69.423
flat angles C4'-P-C4' energy: -71.770
flat angles P-C4'-P energy: -41.358
tors. eta vs tors. theta energy: -89.479
Dist. restrs. and SS energy: 2.714 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -1100.564919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.564919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.290870 (E_RNA)
where:
Base-Base interactions energy: -759.962
where: short stacking energy: -314.819
Base-Backbone interact. energy: -1.630
local terms energy: -341.698153
where:
bonds (distance) C4'-P energy: -56.893
bonds (distance) P-C4' energy: -72.346
flat angles C4'-P-C4' energy: -72.573
flat angles P-C4'-P energy: -58.039
tors. eta vs tors. theta energy: -81.847
Dist. restrs. and SS energy: 2.726 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -1057.651795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.651795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.685295 (E_RNA)
where:
Base-Base interactions energy: -733.613
where: short stacking energy: -307.389
Base-Backbone interact. energy: -2.447
local terms energy: -326.624915
where:
bonds (distance) C4'-P energy: -69.860
bonds (distance) P-C4' energy: -67.857
flat angles C4'-P-C4' energy: -65.884
flat angles P-C4'-P energy: -47.204
tors. eta vs tors. theta energy: -75.820
Dist. restrs. and SS energy: 5.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -1021.943917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.943917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.105526 (E_RNA)
where:
Base-Base interactions energy: -725.820
where: short stacking energy: -306.036
Base-Backbone interact. energy: -0.779
local terms energy: -299.506322
where:
bonds (distance) C4'-P energy: -50.276
bonds (distance) P-C4' energy: -65.395
flat angles C4'-P-C4' energy: -64.502
flat angles P-C4'-P energy: -42.203
tors. eta vs tors. theta energy: -77.131
Dist. restrs. and SS energy: 4.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -957.965825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.965825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.901211 (E_RNA)
where:
Base-Base interactions energy: -664.382
where: short stacking energy: -254.642
Base-Backbone interact. energy: -2.637
local terms energy: -293.881976
where:
bonds (distance) C4'-P energy: -60.491
bonds (distance) P-C4' energy: -58.505
flat angles C4'-P-C4' energy: -61.588
flat angles P-C4'-P energy: -49.030
tors. eta vs tors. theta energy: -64.268
Dist. restrs. and SS energy: 2.935 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -971.548077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.548077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.450874 (E_RNA)
where:
Base-Base interactions energy: -693.399
where: short stacking energy: -274.700
Base-Backbone interact. energy: -1.778
local terms energy: -282.273890
where:
bonds (distance) C4'-P energy: -53.869
bonds (distance) P-C4' energy: -54.376
flat angles C4'-P-C4' energy: -64.643
flat angles P-C4'-P energy: -37.334
tors. eta vs tors. theta energy: -72.051
Dist. restrs. and SS energy: 5.903 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -914.818120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.818120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.259233 (E_RNA)
where:
Base-Base interactions energy: -644.259
where: short stacking energy: -256.771
Base-Backbone interact. energy: 5.482
local terms energy: -281.482964
where:
bonds (distance) C4'-P energy: -58.298
bonds (distance) P-C4' energy: -45.798
flat angles C4'-P-C4' energy: -69.206
flat angles P-C4'-P energy: -43.124
tors. eta vs tors. theta energy: -65.056
Dist. restrs. and SS energy: 5.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -896.665574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.665574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.321120 (E_RNA)
where:
Base-Base interactions energy: -623.430
where: short stacking energy: -249.974
Base-Backbone interact. energy: -0.415
local terms energy: -287.475350
where:
bonds (distance) C4'-P energy: -72.670
bonds (distance) P-C4' energy: -54.506
flat angles C4'-P-C4' energy: -64.648
flat angles P-C4'-P energy: -36.542
tors. eta vs tors. theta energy: -59.108
Dist. restrs. and SS energy: 14.656 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -862.314179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.314179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.700868 (E_RNA)
where:
Base-Base interactions energy: -605.176
where: short stacking energy: -229.859
Base-Backbone interact. energy: -0.729
local terms energy: -261.796233
where:
bonds (distance) C4'-P energy: -51.525
bonds (distance) P-C4' energy: -57.958
flat angles C4'-P-C4' energy: -57.909
flat angles P-C4'-P energy: -36.066
tors. eta vs tors. theta energy: -58.339
Dist. restrs. and SS energy: 5.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -1178.631556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.631556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.419545 (E_RNA)
where:
Base-Base interactions energy: -824.372
where: short stacking energy: -337.950
Base-Backbone interact. energy: -1.525
local terms energy: -356.522944
where:
bonds (distance) C4'-P energy: -70.212
bonds (distance) P-C4' energy: -68.691
flat angles C4'-P-C4' energy: -77.498
flat angles P-C4'-P energy: -50.252
tors. eta vs tors. theta energy: -89.870
Dist. restrs. and SS energy: 3.788 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -1180.554529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.554529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.539800 (E_RNA)
where:
Base-Base interactions energy: -838.043
where: short stacking energy: -331.383
Base-Backbone interact. energy: 2.871
local terms energy: -348.367345
where:
bonds (distance) C4'-P energy: -71.854
bonds (distance) P-C4' energy: -65.926
flat angles C4'-P-C4' energy: -69.442
flat angles P-C4'-P energy: -45.026
tors. eta vs tors. theta energy: -96.120
Dist. restrs. and SS energy: 2.985 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -1093.701936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.701936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.797841 (E_RNA)
where:
Base-Base interactions energy: -765.019
where: short stacking energy: -324.463
Base-Backbone interact. energy: -1.619
local terms energy: -330.159952
where:
bonds (distance) C4'-P energy: -64.376
bonds (distance) P-C4' energy: -71.762
flat angles C4'-P-C4' energy: -60.201
flat angles P-C4'-P energy: -50.394
tors. eta vs tors. theta energy: -83.426
Dist. restrs. and SS energy: 3.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -1087.995144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.995144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.840977 (E_RNA)
where:
Base-Base interactions energy: -750.852
where: short stacking energy: -325.921
Base-Backbone interact. energy: 1.868
local terms energy: -342.856449
where:
bonds (distance) C4'-P energy: -68.479
bonds (distance) P-C4' energy: -63.684
flat angles C4'-P-C4' energy: -69.223
flat angles P-C4'-P energy: -48.363
tors. eta vs tors. theta energy: -93.108
Dist. restrs. and SS energy: 3.846 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -1034.044621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.044621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.176534 (E_RNA)
where:
Base-Base interactions energy: -722.595
where: short stacking energy: -294.749
Base-Backbone interact. energy: -0.713
local terms energy: -318.868530
where:
bonds (distance) C4'-P energy: -53.104
bonds (distance) P-C4' energy: -58.607
flat angles C4'-P-C4' energy: -77.748
flat angles P-C4'-P energy: -46.573
tors. eta vs tors. theta energy: -82.837
Dist. restrs. and SS energy: 8.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -985.926259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.926259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.072670 (E_RNA)
where:
Base-Base interactions energy: -680.474
where: short stacking energy: -281.272
Base-Backbone interact. energy: 1.176
local terms energy: -311.774198
where:
bonds (distance) C4'-P energy: -58.013
bonds (distance) P-C4' energy: -66.222
flat angles C4'-P-C4' energy: -64.571
flat angles P-C4'-P energy: -44.190
tors. eta vs tors. theta energy: -78.779
Dist. restrs. and SS energy: 5.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -967.925602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.925602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.890615 (E_RNA)
where:
Base-Base interactions energy: -668.860
where: short stacking energy: -268.788
Base-Backbone interact. energy: -3.012
local terms energy: -301.018238
where:
bonds (distance) C4'-P energy: -61.532
bonds (distance) P-C4' energy: -63.850
flat angles C4'-P-C4' energy: -59.326
flat angles P-C4'-P energy: -45.597
tors. eta vs tors. theta energy: -70.714
Dist. restrs. and SS energy: 4.965 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -869.895487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.895487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.652389 (E_RNA)
where:
Base-Base interactions energy: -600.879
where: short stacking energy: -235.195
Base-Backbone interact. energy: -2.264
local terms energy: -278.509299
where:
bonds (distance) C4'-P energy: -53.722
bonds (distance) P-C4' energy: -74.909
flat angles C4'-P-C4' energy: -61.653
flat angles P-C4'-P energy: -28.010
tors. eta vs tors. theta energy: -60.215
Dist. restrs. and SS energy: 11.757 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -856.732944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.732944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.188146 (E_RNA)
where:
Base-Base interactions energy: -587.599
where: short stacking energy: -220.510
Base-Backbone interact. energy: 1.519
local terms energy: -283.107563
where:
bonds (distance) C4'-P energy: -58.953
bonds (distance) P-C4' energy: -67.032
flat angles C4'-P-C4' energy: -62.355
flat angles P-C4'-P energy: -42.619
tors. eta vs tors. theta energy: -52.149
Dist. restrs. and SS energy: 12.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -865.544734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.544734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.248700 (E_RNA)
where:
Base-Base interactions energy: -608.539
where: short stacking energy: -217.601
Base-Backbone interact. energy: -1.788
local terms energy: -261.922059
where:
bonds (distance) C4'-P energy: -59.128
bonds (distance) P-C4' energy: -55.411
flat angles C4'-P-C4' energy: -58.273
flat angles P-C4'-P energy: -42.707
tors. eta vs tors. theta energy: -46.403
Dist. restrs. and SS energy: 6.704 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -1198.393867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.393867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.208036 (E_RNA)
where:
Base-Base interactions energy: -850.088
where: short stacking energy: -329.406
Base-Backbone interact. energy: -2.454
local terms energy: -348.665226
where:
bonds (distance) C4'-P energy: -66.838
bonds (distance) P-C4' energy: -67.308
flat angles C4'-P-C4' energy: -82.037
flat angles P-C4'-P energy: -49.808
tors. eta vs tors. theta energy: -82.674
Dist. restrs. and SS energy: 2.814 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -1162.066700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.066700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.724568 (E_RNA)
where:
Base-Base interactions energy: -807.432
where: short stacking energy: -321.914
Base-Backbone interact. energy: -3.267
local terms energy: -354.025320
where:
bonds (distance) C4'-P energy: -66.843
bonds (distance) P-C4' energy: -59.757
flat angles C4'-P-C4' energy: -77.480
flat angles P-C4'-P energy: -57.110
tors. eta vs tors. theta energy: -92.835
Dist. restrs. and SS energy: 2.658 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -1102.614152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.614152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.489944 (E_RNA)
where:
Base-Base interactions energy: -762.808
where: short stacking energy: -322.504
Base-Backbone interact. energy: -1.256
local terms energy: -341.425344
where:
bonds (distance) C4'-P energy: -61.350
bonds (distance) P-C4' energy: -64.435
flat angles C4'-P-C4' energy: -63.941
flat angles P-C4'-P energy: -59.348
tors. eta vs tors. theta energy: -92.351
Dist. restrs. and SS energy: 2.876 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -1052.569669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.569669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.586524 (E_RNA)
where:
Base-Base interactions energy: -713.710
where: short stacking energy: -307.741
Base-Backbone interact. energy: -2.236
local terms energy: -341.640487
where:
bonds (distance) C4'-P energy: -55.959
bonds (distance) P-C4' energy: -69.662
flat angles C4'-P-C4' energy: -72.705
flat angles P-C4'-P energy: -49.757
tors. eta vs tors. theta energy: -93.557
Dist. restrs. and SS energy: 5.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -1069.289607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.289607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.128884 (E_RNA)
where:
Base-Base interactions energy: -747.287
where: short stacking energy: -309.347
Base-Backbone interact. energy: -4.129
local terms energy: -322.713241
where:
bonds (distance) C4'-P energy: -58.517
bonds (distance) P-C4' energy: -65.387
flat angles C4'-P-C4' energy: -63.152
flat angles P-C4'-P energy: -54.739
tors. eta vs tors. theta energy: -80.918
Dist. restrs. and SS energy: 4.839 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -1001.146854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.146854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.614221 (E_RNA)
where:
Base-Base interactions energy: -696.682
where: short stacking energy: -287.838
Base-Backbone interact. energy: -2.144
local terms energy: -306.788636
where:
bonds (distance) C4'-P energy: -54.459
bonds (distance) P-C4' energy: -73.939
flat angles C4'-P-C4' energy: -70.610
flat angles P-C4'-P energy: -25.689
tors. eta vs tors. theta energy: -82.092
Dist. restrs. and SS energy: 4.467 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -943.391328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.391328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.895440 (E_RNA)
where:
Base-Base interactions energy: -670.651
where: short stacking energy: -262.594
Base-Backbone interact. energy: -0.583
local terms energy: -275.661610
where:
bonds (distance) C4'-P energy: -60.172
bonds (distance) P-C4' energy: -47.583
flat angles C4'-P-C4' energy: -60.486
flat angles P-C4'-P energy: -44.765
tors. eta vs tors. theta energy: -62.656
Dist. restrs. and SS energy: 3.504 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -893.195423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.195423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.868788 (E_RNA)
where:
Base-Base interactions energy: -605.967
where: short stacking energy: -234.101
Base-Backbone interact. energy: -2.461
local terms energy: -289.440846
where:
bonds (distance) C4'-P energy: -65.651
bonds (distance) P-C4' energy: -64.614
flat angles C4'-P-C4' energy: -54.997
flat angles P-C4'-P energy: -42.767
tors. eta vs tors. theta energy: -61.412
Dist. restrs. and SS energy: 4.673 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -849.012348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.012348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.366806 (E_RNA)
where:
Base-Base interactions energy: -595.349
where: short stacking energy: -231.845
Base-Backbone interact. energy: 1.668
local terms energy: -260.685845
where:
bonds (distance) C4'-P energy: -51.906
bonds (distance) P-C4' energy: -62.763
flat angles C4'-P-C4' energy: -56.304
flat angles P-C4'-P energy: -45.515
tors. eta vs tors. theta energy: -44.196
Dist. restrs. and SS energy: 5.354 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -825.637123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.637123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.840969 (E_RNA)
where:
Base-Base interactions energy: -576.591
where: short stacking energy: -230.880
Base-Backbone interact. energy: 0.356
local terms energy: -257.605308
where:
bonds (distance) C4'-P energy: -60.114
bonds (distance) P-C4' energy: -55.659
flat angles C4'-P-C4' energy: -58.035
flat angles P-C4'-P energy: -31.138
tors. eta vs tors. theta energy: -52.661
Dist. restrs. and SS energy: 8.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -1190.268026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.268026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.447698 (E_RNA)
where:
Base-Base interactions energy: -838.969
where: short stacking energy: -326.074
Base-Backbone interact. energy: -2.610
local terms energy: -351.868879
where:
bonds (distance) C4'-P energy: -71.807
bonds (distance) P-C4' energy: -66.920
flat angles C4'-P-C4' energy: -72.474
flat angles P-C4'-P energy: -55.162
tors. eta vs tors. theta energy: -85.506
Dist. restrs. and SS energy: 3.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -1157.414329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.414329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.283351 (E_RNA)
where:
Base-Base interactions energy: -810.323
where: short stacking energy: -317.434
Base-Backbone interact. energy: -2.861
local terms energy: -348.099025
where:
bonds (distance) C4'-P energy: -62.045
bonds (distance) P-C4' energy: -62.287
flat angles C4'-P-C4' energy: -74.051
flat angles P-C4'-P energy: -52.195
tors. eta vs tors. theta energy: -97.520
Dist. restrs. and SS energy: 3.869 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -1114.906549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.906549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.215270 (E_RNA)
where:
Base-Base interactions energy: -776.740
where: short stacking energy: -322.985
Base-Backbone interact. energy: 0.694
local terms energy: -342.169006
where:
bonds (distance) C4'-P energy: -56.804
bonds (distance) P-C4' energy: -70.700
flat angles C4'-P-C4' energy: -72.469
flat angles P-C4'-P energy: -48.258
tors. eta vs tors. theta energy: -93.939
Dist. restrs. and SS energy: 3.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -1049.236473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.236473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.224205 (E_RNA)
where:
Base-Base interactions energy: -743.105
where: short stacking energy: -311.765
Base-Backbone interact. energy: 6.360
local terms energy: -319.479248
where:
bonds (distance) C4'-P energy: -62.365
bonds (distance) P-C4' energy: -64.537
flat angles C4'-P-C4' energy: -70.729
flat angles P-C4'-P energy: -41.542
tors. eta vs tors. theta energy: -80.306
Dist. restrs. and SS energy: 6.988 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -1078.292570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.292570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.751108 (E_RNA)
where:
Base-Base interactions energy: -746.290
where: short stacking energy: -313.626
Base-Backbone interact. energy: -1.972
local terms energy: -333.489018
where:
bonds (distance) C4'-P energy: -67.119
bonds (distance) P-C4' energy: -58.407
flat angles C4'-P-C4' energy: -75.322
flat angles P-C4'-P energy: -51.672
tors. eta vs tors. theta energy: -80.969
Dist. restrs. and SS energy: 3.459 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -975.234743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.234743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.876892 (E_RNA)
where:
Base-Base interactions energy: -689.166
where: short stacking energy: -272.928
Base-Backbone interact. energy: -0.347
local terms energy: -291.363754
where:
bonds (distance) C4'-P energy: -56.943
bonds (distance) P-C4' energy: -57.513
flat angles C4'-P-C4' energy: -70.279
flat angles P-C4'-P energy: -37.380
tors. eta vs tors. theta energy: -69.250
Dist. restrs. and SS energy: 5.642 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -958.188274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.188274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.640484 (E_RNA)
where:
Base-Base interactions energy: -664.064
where: short stacking energy: -259.667
Base-Backbone interact. energy: -1.386
local terms energy: -298.189990
where:
bonds (distance) C4'-P energy: -63.195
bonds (distance) P-C4' energy: -61.849
flat angles C4'-P-C4' energy: -55.313
flat angles P-C4'-P energy: -45.078
tors. eta vs tors. theta energy: -72.755
Dist. restrs. and SS energy: 5.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -897.956065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.956065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.313737 (E_RNA)
where:
Base-Base interactions energy: -635.337
where: short stacking energy: -247.510
Base-Backbone interact. energy: -1.544
local terms energy: -266.433469
where:
bonds (distance) C4'-P energy: -50.593
bonds (distance) P-C4' energy: -52.804
flat angles C4'-P-C4' energy: -65.279
flat angles P-C4'-P energy: -39.090
tors. eta vs tors. theta energy: -58.667
Dist. restrs. and SS energy: 5.358 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -822.920656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.920656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.807372 (E_RNA)
where:
Base-Base interactions energy: -561.229
where: short stacking energy: -222.237
Base-Backbone interact. energy: -1.319
local terms energy: -271.259461
where:
bonds (distance) C4'-P energy: -59.481
bonds (distance) P-C4' energy: -60.050
flat angles C4'-P-C4' energy: -58.537
flat angles P-C4'-P energy: -42.065
tors. eta vs tors. theta energy: -51.126
Dist. restrs. and SS energy: 10.887 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -819.454259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.454259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.287731 (E_RNA)
where:
Base-Base interactions energy: -557.013
where: short stacking energy: -214.430
Base-Backbone interact. energy: -3.577
local terms energy: -264.697500
where:
bonds (distance) C4'-P energy: -55.829
bonds (distance) P-C4' energy: -55.500
flat angles C4'-P-C4' energy: -56.878
flat angles P-C4'-P energy: -44.083
tors. eta vs tors. theta energy: -52.407
Dist. restrs. and SS energy: 5.833 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -1179.142325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.142325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.934332 (E_RNA)
where:
Base-Base interactions energy: -846.834
where: short stacking energy: -339.384
Base-Backbone interact. energy: -1.789
local terms energy: -333.311837
where:
bonds (distance) C4'-P energy: -60.649
bonds (distance) P-C4' energy: -61.027
flat angles C4'-P-C4' energy: -69.506
flat angles P-C4'-P energy: -54.165
tors. eta vs tors. theta energy: -87.965
Dist. restrs. and SS energy: 2.792 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -1172.806780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.806780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.666122 (E_RNA)
where:
Base-Base interactions energy: -817.682
where: short stacking energy: -333.039
Base-Backbone interact. energy: -1.402
local terms energy: -357.582410
where:
bonds (distance) C4'-P energy: -64.822
bonds (distance) P-C4' energy: -62.221
flat angles C4'-P-C4' energy: -77.659
flat angles P-C4'-P energy: -51.713
tors. eta vs tors. theta energy: -101.168
Dist. restrs. and SS energy: 3.859 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -1113.226957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.226957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.522650 (E_RNA)
where:
Base-Base interactions energy: -771.481
where: short stacking energy: -321.036
Base-Backbone interact. energy: -0.523
local terms energy: -344.518494
where:
bonds (distance) C4'-P energy: -60.897
bonds (distance) P-C4' energy: -66.301
flat angles C4'-P-C4' energy: -73.466
flat angles P-C4'-P energy: -51.097
tors. eta vs tors. theta energy: -92.757
Dist. restrs. and SS energy: 3.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -1104.218673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.218673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.718839 (E_RNA)
where:
Base-Base interactions energy: -777.861
where: short stacking energy: -323.241
Base-Backbone interact. energy: -2.922
local terms energy: -330.935775
where:
bonds (distance) C4'-P energy: -52.818
bonds (distance) P-C4' energy: -60.133
flat angles C4'-P-C4' energy: -81.267
flat angles P-C4'-P energy: -45.555
tors. eta vs tors. theta energy: -91.163
Dist. restrs. and SS energy: 7.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -1038.586717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.586717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.522182 (E_RNA)
where:
Base-Base interactions energy: -730.293
where: short stacking energy: -306.286
Base-Backbone interact. energy: -2.045
local terms energy: -312.184044
where:
bonds (distance) C4'-P energy: -54.023
bonds (distance) P-C4' energy: -53.089
flat angles C4'-P-C4' energy: -70.077
flat angles P-C4'-P energy: -48.742
tors. eta vs tors. theta energy: -86.253
Dist. restrs. and SS energy: 5.935 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -992.812589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.812589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.072876 (E_RNA)
where:
Base-Base interactions energy: -702.772
where: short stacking energy: -291.980
Base-Backbone interact. energy: -0.344
local terms energy: -295.956887
where:
bonds (distance) C4'-P energy: -53.929
bonds (distance) P-C4' energy: -64.917
flat angles C4'-P-C4' energy: -59.927
flat angles P-C4'-P energy: -45.366
tors. eta vs tors. theta energy: -71.818
Dist. restrs. and SS energy: 6.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -949.385829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.385829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.217167 (E_RNA)
where:
Base-Base interactions energy: -645.856
where: short stacking energy: -261.492
Base-Backbone interact. energy: -2.047
local terms energy: -305.314846
where:
bonds (distance) C4'-P energy: -55.953
bonds (distance) P-C4' energy: -68.599
flat angles C4'-P-C4' energy: -69.724
flat angles P-C4'-P energy: -47.325
tors. eta vs tors. theta energy: -63.713
Dist. restrs. and SS energy: 3.831 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -905.876860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.876860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.782727 (E_RNA)
where:
Base-Base interactions energy: -659.032
where: short stacking energy: -279.139
Base-Backbone interact. energy: -1.871
local terms energy: -255.879527
where:
bonds (distance) C4'-P energy: -53.551
bonds (distance) P-C4' energy: -56.491
flat angles C4'-P-C4' energy: -50.339
flat angles P-C4'-P energy: -28.831
tors. eta vs tors. theta energy: -66.668
Dist. restrs. and SS energy: 10.906 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -812.709939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.709939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.818553 (E_RNA)
where:
Base-Base interactions energy: -567.647
where: short stacking energy: -211.911
Base-Backbone interact. energy: -1.080
local terms energy: -253.091982
where:
bonds (distance) C4'-P energy: -54.850
bonds (distance) P-C4' energy: -54.191
flat angles C4'-P-C4' energy: -67.876
flat angles P-C4'-P energy: -23.322
tors. eta vs tors. theta energy: -52.852
Dist. restrs. and SS energy: 9.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -819.232043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.232043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.325666 (E_RNA)
where:
Base-Base interactions energy: -596.909
where: short stacking energy: -230.632
Base-Backbone interact. energy: 6.803
local terms energy: -238.220050
where:
bonds (distance) C4'-P energy: -48.747
bonds (distance) P-C4' energy: -42.871
flat angles C4'-P-C4' energy: -55.543
flat angles P-C4'-P energy: -37.735
tors. eta vs tors. theta energy: -53.324
Dist. restrs. and SS energy: 9.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -1208.558301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.558301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.615040 (E_RNA)
where:
Base-Base interactions energy: -842.272
where: short stacking energy: -345.365
Base-Backbone interact. energy: -4.318
local terms energy: -365.025350
where:
bonds (distance) C4'-P energy: -70.347
bonds (distance) P-C4' energy: -61.054
flat angles C4'-P-C4' energy: -77.746
flat angles P-C4'-P energy: -51.583
tors. eta vs tors. theta energy: -104.296
Dist. restrs. and SS energy: 3.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -1186.702722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.702722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.042375 (E_RNA)
where:
Base-Base interactions energy: -845.955
where: short stacking energy: -327.576
Base-Backbone interact. energy: -2.574
local terms energy: -341.513261
where:
bonds (distance) C4'-P energy: -62.737
bonds (distance) P-C4' energy: -75.713
flat angles C4'-P-C4' energy: -65.128
flat angles P-C4'-P energy: -50.406
tors. eta vs tors. theta energy: -87.530
Dist. restrs. and SS energy: 3.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -1148.760069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.760069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.906831 (E_RNA)
where:
Base-Base interactions energy: -804.559
where: short stacking energy: -340.147
Base-Backbone interact. energy: -1.236
local terms energy: -346.110929
where:
bonds (distance) C4'-P energy: -58.014
bonds (distance) P-C4' energy: -64.067
flat angles C4'-P-C4' energy: -75.289
flat angles P-C4'-P energy: -50.119
tors. eta vs tors. theta energy: -98.621
Dist. restrs. and SS energy: 3.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -1092.355476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.355476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.087960 (E_RNA)
where:
Base-Base interactions energy: -746.535
where: short stacking energy: -306.239
Base-Backbone interact. energy: -0.044
local terms energy: -348.508716
where:
bonds (distance) C4'-P energy: -57.283
bonds (distance) P-C4' energy: -66.444
flat angles C4'-P-C4' energy: -80.484
flat angles P-C4'-P energy: -52.438
tors. eta vs tors. theta energy: -91.861
Dist. restrs. and SS energy: 2.732 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -1018.043051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.043051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.709854 (E_RNA)
where:
Base-Base interactions energy: -721.817
where: short stacking energy: -291.491
Base-Backbone interact. energy: 0.752
local terms energy: -302.644472
where:
bonds (distance) C4'-P energy: -64.565
bonds (distance) P-C4' energy: -67.562
flat angles C4'-P-C4' energy: -63.390
flat angles P-C4'-P energy: -41.135
tors. eta vs tors. theta energy: -65.992
Dist. restrs. and SS energy: 5.667 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -1021.539826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.539826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.651615 (E_RNA)
where:
Base-Base interactions energy: -720.632
where: short stacking energy: -290.795
Base-Backbone interact. energy: 0.342
local terms energy: -306.361729
where:
bonds (distance) C4'-P energy: -49.933
bonds (distance) P-C4' energy: -63.766
flat angles C4'-P-C4' energy: -65.982
flat angles P-C4'-P energy: -45.271
tors. eta vs tors. theta energy: -81.410
Dist. restrs. and SS energy: 5.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -929.545126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.545126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.154899 (E_RNA)
where:
Base-Base interactions energy: -661.695
where: short stacking energy: -247.523
Base-Backbone interact. energy: 2.645
local terms energy: -274.104542
where:
bonds (distance) C4'-P energy: -42.137
bonds (distance) P-C4' energy: -63.467
flat angles C4'-P-C4' energy: -63.407
flat angles P-C4'-P energy: -42.162
tors. eta vs tors. theta energy: -62.931
Dist. restrs. and SS energy: 3.610 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -870.524993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.524993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.806157 (E_RNA)
where:
Base-Base interactions energy: -615.037
where: short stacking energy: -252.453
Base-Backbone interact. energy: 0.243
local terms energy: -264.012876
where:
bonds (distance) C4'-P energy: -40.985
bonds (distance) P-C4' energy: -52.251
flat angles C4'-P-C4' energy: -66.361
flat angles P-C4'-P energy: -37.574
tors. eta vs tors. theta energy: -66.842
Dist. restrs. and SS energy: 8.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -827.426456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.426456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.676397 (E_RNA)
where:
Base-Base interactions energy: -600.465
where: short stacking energy: -227.349
Base-Backbone interact. energy: 2.007
local terms energy: -242.218256
where:
bonds (distance) C4'-P energy: -44.842
bonds (distance) P-C4' energy: -53.946
flat angles C4'-P-C4' energy: -57.350
flat angles P-C4'-P energy: -40.742
tors. eta vs tors. theta energy: -45.339
Dist. restrs. and SS energy: 13.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -855.569837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.569837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.279030 (E_RNA)
where:
Base-Base interactions energy: -609.880
where: short stacking energy: -242.727
Base-Backbone interact. energy: -0.339
local terms energy: -251.059921
where:
bonds (distance) C4'-P energy: -47.877
bonds (distance) P-C4' energy: -61.380
flat angles C4'-P-C4' energy: -49.266
flat angles P-C4'-P energy: -34.438
tors. eta vs tors. theta energy: -58.099
Dist. restrs. and SS energy: 5.709 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -1207.276882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.276882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.885177 (E_RNA)
where:
Base-Base interactions energy: -839.185
where: short stacking energy: -345.381
Base-Backbone interact. energy: 0.698
local terms energy: -371.398084
where:
bonds (distance) C4'-P energy: -67.440
bonds (distance) P-C4' energy: -71.057
flat angles C4'-P-C4' energy: -72.643
flat angles P-C4'-P energy: -51.350
tors. eta vs tors. theta energy: -108.908
Dist. restrs. and SS energy: 2.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -1194.445729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.445729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.277200 (E_RNA)
where:
Base-Base interactions energy: -857.278
where: short stacking energy: -322.023
Base-Backbone interact. energy: -1.665
local terms energy: -338.334820
where:
bonds (distance) C4'-P energy: -64.808
bonds (distance) P-C4' energy: -65.328
flat angles C4'-P-C4' energy: -80.246
flat angles P-C4'-P energy: -39.780
tors. eta vs tors. theta energy: -88.172
Dist. restrs. and SS energy: 2.831 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -1131.182453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.182453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.787691 (E_RNA)
where:
Base-Base interactions energy: -790.923
where: short stacking energy: -330.937
Base-Backbone interact. energy: -1.748
local terms energy: -342.117189
where:
bonds (distance) C4'-P energy: -58.741
bonds (distance) P-C4' energy: -64.181
flat angles C4'-P-C4' energy: -66.477
flat angles P-C4'-P energy: -53.582
tors. eta vs tors. theta energy: -99.136
Dist. restrs. and SS energy: 3.605 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -1050.508783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.508783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.049608 (E_RNA)
where:
Base-Base interactions energy: -731.209
where: short stacking energy: -288.239
Base-Backbone interact. energy: -0.902
local terms energy: -320.938737
where:
bonds (distance) C4'-P energy: -59.397
bonds (distance) P-C4' energy: -59.742
flat angles C4'-P-C4' energy: -76.237
flat angles P-C4'-P energy: -45.464
tors. eta vs tors. theta energy: -80.099
Dist. restrs. and SS energy: 2.541 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -1014.462058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.462058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.423743 (E_RNA)
where:
Base-Base interactions energy: -714.530
where: short stacking energy: -300.251
Base-Backbone interact. energy: -2.875
local terms energy: -301.018729
where:
bonds (distance) C4'-P energy: -56.103
bonds (distance) P-C4' energy: -63.739
flat angles C4'-P-C4' energy: -68.908
flat angles P-C4'-P energy: -36.320
tors. eta vs tors. theta energy: -75.949
Dist. restrs. and SS energy: 3.962 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -1029.429413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.429413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.704152 (E_RNA)
where:
Base-Base interactions energy: -726.344
where: short stacking energy: -292.101
Base-Backbone interact. energy: -0.906
local terms energy: -307.454668
where:
bonds (distance) C4'-P energy: -72.777
bonds (distance) P-C4' energy: -66.641
flat angles C4'-P-C4' energy: -63.147
flat angles P-C4'-P energy: -30.804
tors. eta vs tors. theta energy: -74.086
Dist. restrs. and SS energy: 5.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -934.817219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.817219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.105225 (E_RNA)
where:
Base-Base interactions energy: -645.745
where: short stacking energy: -237.453
Base-Backbone interact. energy: -2.213
local terms energy: -294.147949
where:
bonds (distance) C4'-P energy: -59.617
bonds (distance) P-C4' energy: -55.879
flat angles C4'-P-C4' energy: -67.518
flat angles P-C4'-P energy: -46.692
tors. eta vs tors. theta energy: -64.442
Dist. restrs. and SS energy: 7.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -894.173767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.173767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.403600 (E_RNA)
where:
Base-Base interactions energy: -620.526
where: short stacking energy: -254.710
Base-Backbone interact. energy: -1.678
local terms energy: -278.199635
where:
bonds (distance) C4'-P energy: -43.382
bonds (distance) P-C4' energy: -75.573
flat angles C4'-P-C4' energy: -56.648
flat angles P-C4'-P energy: -41.581
tors. eta vs tors. theta energy: -61.016
Dist. restrs. and SS energy: 6.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -855.201472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.201472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.772317 (E_RNA)
where:
Base-Base interactions energy: -606.149
where: short stacking energy: -240.882
Base-Backbone interact. energy: 2.888
local terms energy: -263.510441
where:
bonds (distance) C4'-P energy: -44.452
bonds (distance) P-C4' energy: -66.416
flat angles C4'-P-C4' energy: -54.009
flat angles P-C4'-P energy: -40.582
tors. eta vs tors. theta energy: -58.052
Dist. restrs. and SS energy: 11.571 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -835.611009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.611009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.597740 (E_RNA)
where:
Base-Base interactions energy: -585.646
where: short stacking energy: -222.435
Base-Backbone interact. energy: -1.850
local terms energy: -254.102372
where:
bonds (distance) C4'-P energy: -53.874
bonds (distance) P-C4' energy: -59.857
flat angles C4'-P-C4' energy: -58.949
flat angles P-C4'-P energy: -33.173
tors. eta vs tors. theta energy: -48.249
Dist. restrs. and SS energy: 5.987 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -1218.448482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.448482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.020069 (E_RNA)
where:
Base-Base interactions energy: -873.366
where: short stacking energy: -342.845
Base-Backbone interact. energy: 1.993
local terms energy: -350.646872
where:
bonds (distance) C4'-P energy: -67.788
bonds (distance) P-C4' energy: -71.239
flat angles C4'-P-C4' energy: -74.630
flat angles P-C4'-P energy: -51.132
tors. eta vs tors. theta energy: -85.858
Dist. restrs. and SS energy: 3.572 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -1155.926276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.926276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.037602 (E_RNA)
where:
Base-Base interactions energy: -808.369
where: short stacking energy: -331.887
Base-Backbone interact. energy: -2.419
local terms energy: -348.248847
where:
bonds (distance) C4'-P energy: -55.302
bonds (distance) P-C4' energy: -68.431
flat angles C4'-P-C4' energy: -76.697
flat angles P-C4'-P energy: -44.994
tors. eta vs tors. theta energy: -102.825
Dist. restrs. and SS energy: 3.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -1146.782866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.782866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.699746 (E_RNA)
where:
Base-Base interactions energy: -819.018
where: short stacking energy: -335.032
Base-Backbone interact. energy: -1.036
local terms energy: -329.645746
where:
bonds (distance) C4'-P energy: -54.907
bonds (distance) P-C4' energy: -64.733
flat angles C4'-P-C4' energy: -74.934
flat angles P-C4'-P energy: -42.290
tors. eta vs tors. theta energy: -92.781
Dist. restrs. and SS energy: 2.917 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -1052.833566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.833566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.019596 (E_RNA)
where:
Base-Base interactions energy: -729.060
where: short stacking energy: -292.197
Base-Backbone interact. energy: -1.220
local terms energy: -325.739627
where:
bonds (distance) C4'-P energy: -59.931
bonds (distance) P-C4' energy: -65.214
flat angles C4'-P-C4' energy: -70.651
flat angles P-C4'-P energy: -47.676
tors. eta vs tors. theta energy: -82.267
Dist. restrs. and SS energy: 3.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -1012.140737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.140737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.995896 (E_RNA)
where:
Base-Base interactions energy: -706.598
where: short stacking energy: -294.258
Base-Backbone interact. energy: -1.022
local terms energy: -312.375872
where:
bonds (distance) C4'-P energy: -65.389
bonds (distance) P-C4' energy: -58.966
flat angles C4'-P-C4' energy: -73.467
flat angles P-C4'-P energy: -49.393
tors. eta vs tors. theta energy: -65.160
Dist. restrs. and SS energy: 7.855 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -986.769943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.769943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.366791 (E_RNA)
where:
Base-Base interactions energy: -679.450
where: short stacking energy: -287.335
Base-Backbone interact. energy: -1.215
local terms energy: -311.702141
where:
bonds (distance) C4'-P energy: -58.811
bonds (distance) P-C4' energy: -57.039
flat angles C4'-P-C4' energy: -76.474
flat angles P-C4'-P energy: -43.171
tors. eta vs tors. theta energy: -76.207
Dist. restrs. and SS energy: 5.597 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -982.345928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.345928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.632024 (E_RNA)
where:
Base-Base interactions energy: -676.114
where: short stacking energy: -276.973
Base-Backbone interact. energy: 1.258
local terms energy: -312.775633
where:
bonds (distance) C4'-P energy: -57.762
bonds (distance) P-C4' energy: -60.901
flat angles C4'-P-C4' energy: -72.317
flat angles P-C4'-P energy: -43.566
tors. eta vs tors. theta energy: -78.229
Dist. restrs. and SS energy: 5.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -880.904433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.904433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.809772 (E_RNA)
where:
Base-Base interactions energy: -612.961
where: short stacking energy: -243.929
Base-Backbone interact. energy: 2.334
local terms energy: -276.183009
where:
bonds (distance) C4'-P energy: -53.937
bonds (distance) P-C4' energy: -49.743
flat angles C4'-P-C4' energy: -58.109
flat angles P-C4'-P energy: -46.950
tors. eta vs tors. theta energy: -67.443
Dist. restrs. and SS energy: 5.905 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -871.497574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.497574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.969583 (E_RNA)
where:
Base-Base interactions energy: -601.048
where: short stacking energy: -230.427
Base-Backbone interact. energy: -1.785
local terms energy: -273.135779
where:
bonds (distance) C4'-P energy: -63.758
bonds (distance) P-C4' energy: -56.227
flat angles C4'-P-C4' energy: -60.290
flat angles P-C4'-P energy: -36.667
tors. eta vs tors. theta energy: -56.194
Dist. restrs. and SS energy: 4.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -855.836323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.836323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.540474 (E_RNA)
where:
Base-Base interactions energy: -608.518
where: short stacking energy: -239.242
Base-Backbone interact. energy: -1.319
local terms energy: -253.703313
where:
bonds (distance) C4'-P energy: -39.597
bonds (distance) P-C4' energy: -48.598
flat angles C4'-P-C4' energy: -62.986
flat angles P-C4'-P energy: -40.794
tors. eta vs tors. theta energy: -61.728
Dist. restrs. and SS energy: 7.704 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -1242.758183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.758183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.492357 (E_RNA)
where:
Base-Base interactions energy: -893.015
where: short stacking energy: -339.359
Base-Backbone interact. energy: -3.417
local terms energy: -349.060078
where:
bonds (distance) C4'-P energy: -66.676
bonds (distance) P-C4' energy: -66.460
flat angles C4'-P-C4' energy: -75.012
flat angles P-C4'-P energy: -47.856
tors. eta vs tors. theta energy: -93.057
Dist. restrs. and SS energy: 2.734 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -1178.906425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.906425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.987728 (E_RNA)
where:
Base-Base interactions energy: -839.634
where: short stacking energy: -341.644
Base-Backbone interact. energy: -0.830
local terms energy: -341.524297
where:
bonds (distance) C4'-P energy: -62.059
bonds (distance) P-C4' energy: -74.431
flat angles C4'-P-C4' energy: -69.676
flat angles P-C4'-P energy: -43.221
tors. eta vs tors. theta energy: -92.136
Dist. restrs. and SS energy: 3.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -1123.152542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.152542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.885562 (E_RNA)
where:
Base-Base interactions energy: -769.688
where: short stacking energy: -305.618
Base-Backbone interact. energy: -0.960
local terms energy: -355.238203
where:
bonds (distance) C4'-P energy: -68.332
bonds (distance) P-C4' energy: -73.607
flat angles C4'-P-C4' energy: -69.134
flat angles P-C4'-P energy: -53.948
tors. eta vs tors. theta energy: -90.217
Dist. restrs. and SS energy: 2.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -1044.059182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.059182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.772107 (E_RNA)
where:
Base-Base interactions energy: -733.915
where: short stacking energy: -300.521
Base-Backbone interact. energy: 1.283
local terms energy: -314.139935
where:
bonds (distance) C4'-P energy: -64.705
bonds (distance) P-C4' energy: -59.155
flat angles C4'-P-C4' energy: -65.148
flat angles P-C4'-P energy: -42.322
tors. eta vs tors. theta energy: -82.810
Dist. restrs. and SS energy: 2.713 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -1021.902324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.902324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.614544 (E_RNA)
where:
Base-Base interactions energy: -702.954
where: short stacking energy: -300.386
Base-Backbone interact. energy: -3.899
local terms energy: -321.761359
where:
bonds (distance) C4'-P energy: -57.966
bonds (distance) P-C4' energy: -56.780
flat angles C4'-P-C4' energy: -78.113
flat angles P-C4'-P energy: -46.098
tors. eta vs tors. theta energy: -82.804
Dist. restrs. and SS energy: 6.712 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -1005.489968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.489968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.549664 (E_RNA)
where:
Base-Base interactions energy: -692.178
where: short stacking energy: -287.521
Base-Backbone interact. energy: -2.160
local terms energy: -317.211229
where:
bonds (distance) C4'-P energy: -52.095
bonds (distance) P-C4' energy: -68.028
flat angles C4'-P-C4' energy: -67.434
flat angles P-C4'-P energy: -46.421
tors. eta vs tors. theta energy: -83.232
Dist. restrs. and SS energy: 6.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -957.594167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.594167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.334080 (E_RNA)
where:
Base-Base interactions energy: -683.155
where: short stacking energy: -265.046
Base-Backbone interact. energy: -1.296
local terms energy: -276.882880
where:
bonds (distance) C4'-P energy: -58.227
bonds (distance) P-C4' energy: -49.735
flat angles C4'-P-C4' energy: -67.434
flat angles P-C4'-P energy: -37.983
tors. eta vs tors. theta energy: -63.504
Dist. restrs. and SS energy: 3.740 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -874.414491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.414491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.438593 (E_RNA)
where:
Base-Base interactions energy: -621.944
where: short stacking energy: -258.567
Base-Backbone interact. energy: -1.212
local terms energy: -256.282708
where:
bonds (distance) C4'-P energy: -54.414
bonds (distance) P-C4' energy: -45.831
flat angles C4'-P-C4' energy: -63.084
flat angles P-C4'-P energy: -32.314
tors. eta vs tors. theta energy: -60.639
Dist. restrs. and SS energy: 5.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -867.458207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.458207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.652859 (E_RNA)
where:
Base-Base interactions energy: -604.521
where: short stacking energy: -245.996
Base-Backbone interact. energy: -2.743
local terms energy: -264.388637
where:
bonds (distance) C4'-P energy: -55.608
bonds (distance) P-C4' energy: -50.162
flat angles C4'-P-C4' energy: -58.583
flat angles P-C4'-P energy: -46.387
tors. eta vs tors. theta energy: -53.648
Dist. restrs. and SS energy: 4.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -821.901192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.901192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.770973 (E_RNA)
where:
Base-Base interactions energy: -596.110
where: short stacking energy: -239.244
Base-Backbone interact. energy: -0.706
local terms energy: -234.955267
where:
bonds (distance) C4'-P energy: -48.082
bonds (distance) P-C4' energy: -51.273
flat angles C4'-P-C4' energy: -47.407
flat angles P-C4'-P energy: -27.766
tors. eta vs tors. theta energy: -60.427
Dist. restrs. and SS energy: 9.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -1231.501459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.501459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.262242 (E_RNA)
where:
Base-Base interactions energy: -879.296
where: short stacking energy: -328.275
Base-Backbone interact. energy: -1.581
local terms energy: -353.384839
where:
bonds (distance) C4'-P energy: -62.439
bonds (distance) P-C4' energy: -71.100
flat angles C4'-P-C4' energy: -80.689
flat angles P-C4'-P energy: -45.722
tors. eta vs tors. theta energy: -93.434
Dist. restrs. and SS energy: 2.761 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -1175.294711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.294711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.778528 (E_RNA)
where:
Base-Base interactions energy: -814.530
where: short stacking energy: -339.754
Base-Backbone interact. energy: -0.170
local terms energy: -364.078911
where:
bonds (distance) C4'-P energy: -63.128
bonds (distance) P-C4' energy: -74.784
flat angles C4'-P-C4' energy: -77.706
flat angles P-C4'-P energy: -49.813
tors. eta vs tors. theta energy: -98.648
Dist. restrs. and SS energy: 3.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -1107.453876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.453876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.715855 (E_RNA)
where:
Base-Base interactions energy: -778.780
where: short stacking energy: -325.920
Base-Backbone interact. energy: -3.323
local terms energy: -328.612657
where:
bonds (distance) C4'-P energy: -60.209
bonds (distance) P-C4' energy: -66.649
flat angles C4'-P-C4' energy: -69.526
flat angles P-C4'-P energy: -47.350
tors. eta vs tors. theta energy: -84.879
Dist. restrs. and SS energy: 3.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -1055.200530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.200530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.845890 (E_RNA)
where:
Base-Base interactions energy: -739.710
where: short stacking energy: -315.742
Base-Backbone interact. energy: -0.916
local terms energy: -318.220678
where:
bonds (distance) C4'-P energy: -57.514
bonds (distance) P-C4' energy: -61.799
flat angles C4'-P-C4' energy: -71.011
flat angles P-C4'-P energy: -52.028
tors. eta vs tors. theta energy: -75.869
Dist. restrs. and SS energy: 3.645 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -1003.652097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.652097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.575685 (E_RNA)
where:
Base-Base interactions energy: -706.262
where: short stacking energy: -295.711
Base-Backbone interact. energy: 1.280
local terms energy: -305.593234
where:
bonds (distance) C4'-P energy: -52.832
bonds (distance) P-C4' energy: -65.289
flat angles C4'-P-C4' energy: -74.323
flat angles P-C4'-P energy: -40.742
tors. eta vs tors. theta energy: -72.408
Dist. restrs. and SS energy: 6.924 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -1012.325272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.325272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.014750 (E_RNA)
where:
Base-Base interactions energy: -711.783
where: short stacking energy: -284.167
Base-Backbone interact. energy: -2.675
local terms energy: -301.556472
where:
bonds (distance) C4'-P energy: -57.067
bonds (distance) P-C4' energy: -58.670
flat angles C4'-P-C4' energy: -64.764
flat angles P-C4'-P energy: -48.641
tors. eta vs tors. theta energy: -72.414
Dist. restrs. and SS energy: 3.689 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -947.267827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.267827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.935561 (E_RNA)
where:
Base-Base interactions energy: -672.434
where: short stacking energy: -262.901
Base-Backbone interact. energy: -1.036
local terms energy: -281.465123
where:
bonds (distance) C4'-P energy: -53.183
bonds (distance) P-C4' energy: -61.409
flat angles C4'-P-C4' energy: -49.955
flat angles P-C4'-P energy: -46.175
tors. eta vs tors. theta energy: -70.743
Dist. restrs. and SS energy: 7.668 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -907.175803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.175803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.929764 (E_RNA)
where:
Base-Base interactions energy: -632.807
where: short stacking energy: -254.257
Base-Backbone interact. energy: -2.729
local terms energy: -276.394204
where:
bonds (distance) C4'-P energy: -56.090
bonds (distance) P-C4' energy: -64.197
flat angles C4'-P-C4' energy: -60.842
flat angles P-C4'-P energy: -37.951
tors. eta vs tors. theta energy: -57.315
Dist. restrs. and SS energy: 4.754 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -850.063942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.063942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.895646 (E_RNA)
where:
Base-Base interactions energy: -599.602
where: short stacking energy: -217.784
Base-Backbone interact. energy: 0.305
local terms energy: -259.598263
where:
bonds (distance) C4'-P energy: -50.751
bonds (distance) P-C4' energy: -55.548
flat angles C4'-P-C4' energy: -49.591
flat angles P-C4'-P energy: -50.006
tors. eta vs tors. theta energy: -53.702
Dist. restrs. and SS energy: 8.832 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -849.491985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.491985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.767399 (E_RNA)
where:
Base-Base interactions energy: -611.899
where: short stacking energy: -240.155
Base-Backbone interact. energy: -2.719
local terms energy: -240.149004
where:
bonds (distance) C4'-P energy: -52.161
bonds (distance) P-C4' energy: -46.141
flat angles C4'-P-C4' energy: -45.539
flat angles P-C4'-P energy: -40.368
tors. eta vs tors. theta energy: -55.941
Dist. restrs. and SS energy: 5.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -1220.922521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.922521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.859143 (E_RNA)
where:
Base-Base interactions energy: -880.601
where: short stacking energy: -324.502
Base-Backbone interact. energy: -2.885
local terms energy: -340.373660
where:
bonds (distance) C4'-P energy: -65.617
bonds (distance) P-C4' energy: -57.572
flat angles C4'-P-C4' energy: -72.152
flat angles P-C4'-P energy: -53.268
tors. eta vs tors. theta energy: -91.764
Dist. restrs. and SS energy: 2.937 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -1156.278065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.278065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.572527 (E_RNA)
where:
Base-Base interactions energy: -790.422
where: short stacking energy: -348.020
Base-Backbone interact. energy: -0.594
local terms energy: -368.557450
where:
bonds (distance) C4'-P energy: -65.000
bonds (distance) P-C4' energy: -78.866
flat angles C4'-P-C4' energy: -73.512
flat angles P-C4'-P energy: -51.022
tors. eta vs tors. theta energy: -100.157
Dist. restrs. and SS energy: 3.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -1116.191484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.191484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.535569 (E_RNA)
where:
Base-Base interactions energy: -770.585
where: short stacking energy: -310.888
Base-Backbone interact. energy: -0.092
local terms energy: -349.858174
where:
bonds (distance) C4'-P energy: -66.287
bonds (distance) P-C4' energy: -66.731
flat angles C4'-P-C4' energy: -70.939
flat angles P-C4'-P energy: -56.444
tors. eta vs tors. theta energy: -89.457
Dist. restrs. and SS energy: 4.344 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -1038.411670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.411670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.419512 (E_RNA)
where:
Base-Base interactions energy: -717.357
where: short stacking energy: -283.107
Base-Backbone interact. energy: -4.107
local terms energy: -325.955824
where:
bonds (distance) C4'-P energy: -63.342
bonds (distance) P-C4' energy: -69.399
flat angles C4'-P-C4' energy: -75.711
flat angles P-C4'-P energy: -43.647
tors. eta vs tors. theta energy: -73.858
Dist. restrs. and SS energy: 9.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -1026.899662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.899662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.818318 (E_RNA)
where:
Base-Base interactions energy: -725.588
where: short stacking energy: -263.915
Base-Backbone interact. energy: 0.664
local terms energy: -305.894713
where:
bonds (distance) C4'-P energy: -58.656
bonds (distance) P-C4' energy: -62.098
flat angles C4'-P-C4' energy: -64.807
flat angles P-C4'-P energy: -44.078
tors. eta vs tors. theta energy: -76.256
Dist. restrs. and SS energy: 3.919 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -1024.603247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.603247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.569548 (E_RNA)
where:
Base-Base interactions energy: -707.941
where: short stacking energy: -287.927
Base-Backbone interact. energy: -0.486
local terms energy: -320.141840
where:
bonds (distance) C4'-P energy: -55.104
bonds (distance) P-C4' energy: -58.643
flat angles C4'-P-C4' energy: -70.995
flat angles P-C4'-P energy: -52.838
tors. eta vs tors. theta energy: -82.562
Dist. restrs. and SS energy: 3.966 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -983.857151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.857151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.230620 (E_RNA)
where:
Base-Base interactions energy: -697.230
where: short stacking energy: -282.710
Base-Backbone interact. energy: -1.176
local terms energy: -290.824086
where:
bonds (distance) C4'-P energy: -61.973
bonds (distance) P-C4' energy: -47.673
flat angles C4'-P-C4' energy: -60.619
flat angles P-C4'-P energy: -39.399
tors. eta vs tors. theta energy: -81.160
Dist. restrs. and SS energy: 5.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -917.373265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.373265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.939727 (E_RNA)
where:
Base-Base interactions energy: -626.387
where: short stacking energy: -258.754
Base-Backbone interact. energy: 0.654
local terms energy: -298.206789
where:
bonds (distance) C4'-P energy: -55.970
bonds (distance) P-C4' energy: -59.578
flat angles C4'-P-C4' energy: -55.803
flat angles P-C4'-P energy: -55.209
tors. eta vs tors. theta energy: -71.647
Dist. restrs. and SS energy: 6.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -840.509960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.509960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.069571 (E_RNA)
where:
Base-Base interactions energy: -584.264
where: short stacking energy: -222.065
Base-Backbone interact. energy: -0.718
local terms energy: -262.088297
where:
bonds (distance) C4'-P energy: -61.025
bonds (distance) P-C4' energy: -44.675
flat angles C4'-P-C4' energy: -66.223
flat angles P-C4'-P energy: -39.943
tors. eta vs tors. theta energy: -50.221
Dist. restrs. and SS energy: 6.560 (S_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: 211
Temperature: 1.350000
Total energy: -804.847104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.847104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.375682 (E_RNA)
where:
Base-Base interactions energy: -544.851
where: short stacking energy: -212.345
Base-Backbone interact. energy: 1.585
local terms energy: -275.109801
where:
bonds (distance) C4'-P energy: -67.238
bonds (distance) P-C4' energy: -51.099
flat angles C4'-P-C4' energy: -62.596
flat angles P-C4'-P energy: -42.931
tors. eta vs tors. theta energy: -51.247
Dist. restrs. and SS energy: 13.529 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -1230.517308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.517308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.397684 (E_RNA)
where:
Base-Base interactions energy: -859.787
where: short stacking energy: -319.424
Base-Backbone interact. energy: -1.889
local terms energy: -371.722205
where:
bonds (distance) C4'-P energy: -75.560
bonds (distance) P-C4' energy: -70.449
flat angles C4'-P-C4' energy: -84.005
flat angles P-C4'-P energy: -51.469
tors. eta vs tors. theta energy: -90.240
Dist. restrs. and SS energy: 2.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -1166.377262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.377262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.645350 (E_RNA)
where:
Base-Base interactions energy: -789.796
where: short stacking energy: -323.629
Base-Backbone interact. energy: -1.524
local terms energy: -380.325705
where:
bonds (distance) C4'-P energy: -67.818
bonds (distance) P-C4' energy: -73.067
flat angles C4'-P-C4' energy: -85.295
flat angles P-C4'-P energy: -55.460
tors. eta vs tors. theta energy: -98.686
Dist. restrs. and SS energy: 5.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -1079.367168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.367168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.273346 (E_RNA)
where:
Base-Base interactions energy: -745.835
where: short stacking energy: -310.430
Base-Backbone interact. energy: -1.972
local terms energy: -335.465713
where:
bonds (distance) C4'-P energy: -70.555
bonds (distance) P-C4' energy: -63.357
flat angles C4'-P-C4' energy: -68.243
flat angles P-C4'-P energy: -48.643
tors. eta vs tors. theta energy: -84.668
Dist. restrs. and SS energy: 3.906 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -1084.007652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.007652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.087310 (E_RNA)
where:
Base-Base interactions energy: -779.402
where: short stacking energy: -316.916
Base-Backbone interact. energy: -0.232
local terms energy: -307.452857
where:
bonds (distance) C4'-P energy: -49.124
bonds (distance) P-C4' energy: -62.663
flat angles C4'-P-C4' energy: -70.882
flat angles P-C4'-P energy: -41.037
tors. eta vs tors. theta energy: -83.746
Dist. restrs. and SS energy: 3.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -1026.315815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.315815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.481439 (E_RNA)
where:
Base-Base interactions energy: -719.556
where: short stacking energy: -292.879
Base-Backbone interact. energy: -1.015
local terms energy: -310.910185
where:
bonds (distance) C4'-P energy: -58.227
bonds (distance) P-C4' energy: -62.095
flat angles C4'-P-C4' energy: -67.213
flat angles P-C4'-P energy: -35.781
tors. eta vs tors. theta energy: -87.593
Dist. restrs. and SS energy: 5.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -1022.455076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.455076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.876332 (E_RNA)
where:
Base-Base interactions energy: -715.034
where: short stacking energy: -291.371
Base-Backbone interact. energy: -0.484
local terms energy: -310.357775
where:
bonds (distance) C4'-P energy: -63.632
bonds (distance) P-C4' energy: -63.017
flat angles C4'-P-C4' energy: -63.650
flat angles P-C4'-P energy: -44.790
tors. eta vs tors. theta energy: -75.269
Dist. restrs. and SS energy: 3.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -966.536005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.536005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.396861 (E_RNA)
where:
Base-Base interactions energy: -673.978
where: short stacking energy: -259.990
Base-Backbone interact. energy: -2.237
local terms energy: -294.182050
where:
bonds (distance) C4'-P energy: -55.594
bonds (distance) P-C4' energy: -69.003
flat angles C4'-P-C4' energy: -65.079
flat angles P-C4'-P energy: -43.063
tors. eta vs tors. theta energy: -61.443
Dist. restrs. and SS energy: 3.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -890.864256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.864256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.156078 (E_RNA)
where:
Base-Base interactions energy: -633.457
where: short stacking energy: -226.966
Base-Backbone interact. energy: -3.192
local terms energy: -258.506966
where:
bonds (distance) C4'-P energy: -53.672
bonds (distance) P-C4' energy: -70.649
flat angles C4'-P-C4' energy: -48.651
flat angles P-C4'-P energy: -38.909
tors. eta vs tors. theta energy: -46.627
Dist. restrs. and SS energy: 4.292 (S_DIST_RNA)
chem. 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: -857.486091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.486091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.961862 (E_RNA)
where:
Base-Base interactions energy: -594.059
where: short stacking energy: -233.241
Base-Backbone interact. energy: 0.287
local terms energy: -266.189726
where:
bonds (distance) C4'-P energy: -50.053
bonds (distance) P-C4' energy: -57.907
flat angles C4'-P-C4' energy: -66.436
flat angles P-C4'-P energy: -33.312
tors. eta vs tors. theta energy: -58.482
Dist. restrs. and SS energy: 2.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -785.926148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.926148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.558580 (E_RNA)
where:
Base-Base interactions energy: -526.388
where: short stacking energy: -211.255
Base-Backbone interact. energy: 0.382
local terms energy: -275.552058
where:
bonds (distance) C4'-P energy: -56.288
bonds (distance) P-C4' energy: -49.151
flat angles C4'-P-C4' energy: -72.029
flat angles P-C4'-P energy: -44.118
tors. eta vs tors. theta energy: -53.967
Dist. restrs. and SS energy: 15.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -1218.140275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.140275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.750206 (E_RNA)
where:
Base-Base interactions energy: -870.075
where: short stacking energy: -332.696
Base-Backbone interact. energy: 1.455
local terms energy: -352.130103
where:
bonds (distance) C4'-P energy: -75.125
bonds (distance) P-C4' energy: -65.301
flat angles C4'-P-C4' energy: -71.017
flat angles P-C4'-P energy: -50.143
tors. eta vs tors. theta energy: -90.544
Dist. restrs. and SS energy: 2.610 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -1206.987303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.987303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.849139 (E_RNA)
where:
Base-Base interactions energy: -835.384
where: short stacking energy: -356.498
Base-Backbone interact. energy: -0.667
local terms energy: -375.798557
where:
bonds (distance) C4'-P energy: -66.237
bonds (distance) P-C4' energy: -65.588
flat angles C4'-P-C4' energy: -83.588
flat angles P-C4'-P energy: -52.082
tors. eta vs tors. theta energy: -108.302
Dist. restrs. and SS energy: 4.862 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -1092.704497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.704497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.113823 (E_RNA)
where:
Base-Base interactions energy: -760.392
where: short stacking energy: -319.581
Base-Backbone interact. energy: -1.357
local terms energy: -336.364512
where:
bonds (distance) C4'-P energy: -60.236
bonds (distance) P-C4' energy: -54.973
flat angles C4'-P-C4' energy: -84.286
flat angles P-C4'-P energy: -53.871
tors. eta vs tors. theta energy: -82.999
Dist. restrs. and SS energy: 5.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -1061.249291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.249291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.982989 (E_RNA)
where:
Base-Base interactions energy: -741.550
where: short stacking energy: -292.956
Base-Backbone interact. energy: -1.318
local terms energy: -322.114953
where:
bonds (distance) C4'-P energy: -57.944
bonds (distance) P-C4' energy: -63.256
flat angles C4'-P-C4' energy: -71.440
flat angles P-C4'-P energy: -51.020
tors. eta vs tors. theta energy: -78.456
Dist. restrs. and SS energy: 3.734 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -1036.840868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.840868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.904887 (E_RNA)
where:
Base-Base interactions energy: -726.325
where: short stacking energy: -283.845
Base-Backbone interact. energy: -1.933
local terms energy: -311.647027
where:
bonds (distance) C4'-P energy: -54.351
bonds (distance) P-C4' energy: -70.807
flat angles C4'-P-C4' energy: -67.286
flat angles P-C4'-P energy: -46.431
tors. eta vs tors. theta energy: -72.771
Dist. restrs. and SS energy: 3.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -977.630537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.630537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.653918 (E_RNA)
where:
Base-Base interactions energy: -672.396
where: short stacking energy: -270.184
Base-Backbone interact. energy: -0.714
local terms energy: -310.544027
where:
bonds (distance) C4'-P energy: -58.252
bonds (distance) P-C4' energy: -64.205
flat angles C4'-P-C4' energy: -64.337
flat angles P-C4'-P energy: -54.208
tors. eta vs tors. theta energy: -69.542
Dist. restrs. and SS energy: 6.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -936.520156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.520156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.569233 (E_RNA)
where:
Base-Base interactions energy: -673.929
where: short stacking energy: -275.147
Base-Backbone interact. energy: 0.280
local terms energy: -268.919925
where:
bonds (distance) C4'-P energy: -53.634
bonds (distance) P-C4' energy: -51.473
flat angles C4'-P-C4' energy: -67.133
flat angles P-C4'-P energy: -34.856
tors. eta vs tors. theta energy: -61.825
Dist. restrs. and SS energy: 6.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -885.155860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.155860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.240388 (E_RNA)
where:
Base-Base interactions energy: -613.438
where: short stacking energy: -244.487
Base-Backbone interact. energy: -1.162
local terms energy: -278.640245
where:
bonds (distance) C4'-P energy: -51.853
bonds (distance) P-C4' energy: -63.032
flat angles C4'-P-C4' energy: -66.912
flat angles P-C4'-P energy: -49.599
tors. eta vs tors. theta energy: -47.245
Dist. restrs. and SS energy: 8.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -839.320760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.320760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.800873 (E_RNA)
where:
Base-Base interactions energy: -624.988
where: short stacking energy: -241.765
Base-Backbone interact. energy: 0.255
local terms energy: -218.068398
where:
bonds (distance) C4'-P energy: -47.985
bonds (distance) P-C4' energy: -51.549
flat angles C4'-P-C4' energy: -47.833
flat angles P-C4'-P energy: -25.158
tors. eta vs tors. theta energy: -45.544
Dist. restrs. and SS energy: 3.480 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -815.607763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.607763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.503306 (E_RNA)
where:
Base-Base interactions energy: -587.982
where: short stacking energy: -226.837
Base-Backbone interact. energy: 2.541
local terms energy: -240.062407
where:
bonds (distance) C4'-P energy: -47.103
bonds (distance) P-C4' energy: -53.781
flat angles C4'-P-C4' energy: -53.620
flat angles P-C4'-P energy: -35.892
tors. eta vs tors. theta energy: -49.666
Dist. restrs. and SS energy: 9.896 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -1217.188490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.188490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.203728 (E_RNA)
where:
Base-Base interactions energy: -854.400
where: short stacking energy: -327.149
Base-Backbone interact. energy: -2.913
local terms energy: -362.890942
where:
bonds (distance) C4'-P energy: -59.902
bonds (distance) P-C4' energy: -72.801
flat angles C4'-P-C4' energy: -80.798
flat angles P-C4'-P energy: -61.838
tors. eta vs tors. theta energy: -87.553
Dist. restrs. and SS energy: 3.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -1180.668283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.668283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.809099 (E_RNA)
where:
Base-Base interactions energy: -814.537
where: short stacking energy: -341.315
Base-Backbone interact. energy: -1.049
local terms energy: -368.223230
where:
bonds (distance) C4'-P energy: -72.429
bonds (distance) P-C4' energy: -66.877
flat angles C4'-P-C4' energy: -67.284
flat angles P-C4'-P energy: -59.595
tors. eta vs tors. theta energy: -102.038
Dist. restrs. and SS energy: 3.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -1096.493104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.493104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.059901 (E_RNA)
where:
Base-Base interactions energy: -764.962
where: short stacking energy: -324.162
Base-Backbone interact. energy: -1.679
local terms energy: -337.418483
where:
bonds (distance) C4'-P energy: -64.302
bonds (distance) P-C4' energy: -62.819
flat angles C4'-P-C4' energy: -77.235
flat angles P-C4'-P energy: -51.425
tors. eta vs tors. theta energy: -81.637
Dist. restrs. and SS energy: 7.567 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -1065.457847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.457847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.763516 (E_RNA)
where:
Base-Base interactions energy: -738.363
where: short stacking energy: -295.523
Base-Backbone interact. energy: 4.118
local terms energy: -335.519346
where:
bonds (distance) C4'-P energy: -55.804
bonds (distance) P-C4' energy: -72.038
flat angles C4'-P-C4' energy: -74.582
flat angles P-C4'-P energy: -53.988
tors. eta vs tors. theta energy: -79.107
Dist. restrs. and SS energy: 4.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -1025.401678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.401678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.534203 (E_RNA)
where:
Base-Base interactions energy: -722.552
where: short stacking energy: -283.841
Base-Backbone interact. energy: -2.694
local terms energy: -303.287988
where:
bonds (distance) C4'-P energy: -65.002
bonds (distance) P-C4' energy: -56.163
flat angles C4'-P-C4' energy: -60.739
flat angles P-C4'-P energy: -45.929
tors. eta vs tors. theta energy: -75.456
Dist. restrs. and SS energy: 3.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -959.766036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.766036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.396832 (E_RNA)
where:
Base-Base interactions energy: -682.502
where: short stacking energy: -272.903
Base-Backbone interact. energy: -1.671
local terms energy: -279.223796
where:
bonds (distance) C4'-P energy: -56.534
bonds (distance) P-C4' energy: -54.096
flat angles C4'-P-C4' energy: -67.208
flat angles P-C4'-P energy: -34.616
tors. eta vs tors. theta energy: -66.769
Dist. restrs. and SS energy: 3.631 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -937.766644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.766644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.173702 (E_RNA)
where:
Base-Base interactions energy: -670.651
where: short stacking energy: -252.559
Base-Backbone interact. energy: -1.719
local terms energy: -270.803416
where:
bonds (distance) C4'-P energy: -53.309
bonds (distance) P-C4' energy: -64.313
flat angles C4'-P-C4' energy: -48.503
flat angles P-C4'-P energy: -38.945
tors. eta vs tors. theta energy: -65.733
Dist. restrs. and SS energy: 5.407 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -938.290630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.290630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.787088 (E_RNA)
where:
Base-Base interactions energy: -668.953
where: short stacking energy: -265.171
Base-Backbone interact. energy: 3.544
local terms energy: -276.378330
where:
bonds (distance) C4'-P energy: -52.654
bonds (distance) P-C4' energy: -54.268
flat angles C4'-P-C4' energy: -59.051
flat angles P-C4'-P energy: -42.826
tors. eta vs tors. theta energy: -67.579
Dist. restrs. and SS energy: 3.496 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -834.724840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.724840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.498607 (E_RNA)
where:
Base-Base interactions energy: -607.358
where: short stacking energy: -242.541
Base-Backbone interact. energy: -0.558
local terms energy: -240.582373
where:
bonds (distance) C4'-P energy: -63.805
bonds (distance) P-C4' energy: -49.609
flat angles C4'-P-C4' energy: -50.777
flat angles P-C4'-P energy: -29.342
tors. eta vs tors. theta energy: -47.049
Dist. restrs. and SS energy: 13.774 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -803.883008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.883008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.095670 (E_RNA)
where:
Base-Base interactions energy: -569.858
where: short stacking energy: -222.220
Base-Backbone interact. energy: -0.594
local terms energy: -242.644086
where:
bonds (distance) C4'-P energy: -53.074
bonds (distance) P-C4' energy: -57.217
flat angles C4'-P-C4' energy: -51.226
flat angles P-C4'-P energy: -33.234
tors. eta vs tors. theta energy: -47.892
Dist. restrs. and SS energy: 9.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -1243.878748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.878748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.663397 (E_RNA)
where:
Base-Base interactions energy: -886.803
where: short stacking energy: -336.887
Base-Backbone interact. energy: -2.495
local terms energy: -357.365420
where:
bonds (distance) C4'-P energy: -63.207
bonds (distance) P-C4' energy: -70.988
flat angles C4'-P-C4' energy: -72.272
flat angles P-C4'-P energy: -54.200
tors. eta vs tors. theta energy: -96.699
Dist. restrs. and SS energy: 2.785 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -1197.611357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.611357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.258780 (E_RNA)
where:
Base-Base interactions energy: -832.717
where: short stacking energy: -353.430
Base-Backbone interact. energy: -3.154
local terms energy: -365.387339
where:
bonds (distance) C4'-P energy: -65.278
bonds (distance) P-C4' energy: -69.594
flat angles C4'-P-C4' energy: -79.709
flat angles P-C4'-P energy: -53.575
tors. eta vs tors. theta energy: -97.231
Dist. restrs. and SS energy: 3.647 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -1097.204766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.204766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.732314 (E_RNA)
where:
Base-Base interactions energy: -761.925
where: short stacking energy: -314.562
Base-Backbone interact. energy: -1.875
local terms energy: -338.932395
where:
bonds (distance) C4'-P energy: -64.049
bonds (distance) P-C4' energy: -73.150
flat angles C4'-P-C4' energy: -68.092
flat angles P-C4'-P energy: -48.127
tors. eta vs tors. theta energy: -85.514
Dist. restrs. and SS energy: 5.528 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -1078.218876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.218876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.334058 (E_RNA)
where:
Base-Base interactions energy: -756.892
where: short stacking energy: -312.188
Base-Backbone interact. energy: -2.313
local terms energy: -323.129345
where:
bonds (distance) C4'-P energy: -58.906
bonds (distance) P-C4' energy: -62.009
flat angles C4'-P-C4' energy: -65.562
flat angles P-C4'-P energy: -46.991
tors. eta vs tors. theta energy: -89.661
Dist. restrs. and SS energy: 4.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -1029.131883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.131883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.017083 (E_RNA)
where:
Base-Base interactions energy: -717.784
where: short stacking energy: -285.374
Base-Backbone interact. energy: 0.626
local terms energy: -314.859022
where:
bonds (distance) C4'-P energy: -61.962
bonds (distance) P-C4' energy: -62.868
flat angles C4'-P-C4' energy: -70.423
flat angles P-C4'-P energy: -47.996
tors. eta vs tors. theta energy: -71.610
Dist. restrs. and SS energy: 2.885 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -979.158784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.158784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.345330 (E_RNA)
where:
Base-Base interactions energy: -682.822
where: short stacking energy: -276.837
Base-Backbone interact. energy: -0.734
local terms energy: -300.789146
where:
bonds (distance) C4'-P energy: -54.207
bonds (distance) P-C4' energy: -60.590
flat angles C4'-P-C4' energy: -62.865
flat angles P-C4'-P energy: -43.976
tors. eta vs tors. theta energy: -79.152
Dist. restrs. and SS energy: 5.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -957.448535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.448535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.654372 (E_RNA)
where:
Base-Base interactions energy: -670.157
where: short stacking energy: -265.324
Base-Backbone interact. energy: -0.792
local terms energy: -289.705017
where:
bonds (distance) C4'-P energy: -51.139
bonds (distance) P-C4' energy: -58.658
flat angles C4'-P-C4' energy: -66.367
flat angles P-C4'-P energy: -43.389
tors. eta vs tors. theta energy: -70.153
Dist. restrs. and SS energy: 3.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -929.139466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.139466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.573203 (E_RNA)
where:
Base-Base interactions energy: -643.007
where: short stacking energy: -257.568
Base-Backbone interact. energy: 0.523
local terms energy: -298.089025
where:
bonds (distance) C4'-P energy: -54.184
bonds (distance) P-C4' energy: -65.173
flat angles C4'-P-C4' energy: -59.030
flat angles P-C4'-P energy: -45.761
tors. eta vs tors. theta energy: -73.941
Dist. restrs. and SS energy: 11.434 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -879.953911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.953911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.540729 (E_RNA)
where:
Base-Base interactions energy: -615.750
where: short stacking energy: -244.138
Base-Backbone interact. energy: -2.465
local terms energy: -271.325549
where:
bonds (distance) C4'-P energy: -45.574
bonds (distance) P-C4' energy: -63.406
flat angles C4'-P-C4' energy: -63.842
flat angles P-C4'-P energy: -35.842
tors. eta vs tors. theta energy: -62.661
Dist. restrs. and SS energy: 9.587 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -812.624780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.624780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.028511 (E_RNA)
where:
Base-Base interactions energy: -589.820
where: short stacking energy: -232.338
Base-Backbone interact. energy: -0.305
local terms energy: -231.903276
where:
bonds (distance) C4'-P energy: -53.453
bonds (distance) P-C4' energy: -45.907
flat angles C4'-P-C4' energy: -53.612
flat angles P-C4'-P energy: -28.253
tors. eta vs tors. theta energy: -50.678
Dist. restrs. and SS energy: 9.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -1223.386779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.386779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.518319 (E_RNA)
where:
Base-Base interactions energy: -846.320
where: short stacking energy: -345.592
Base-Backbone interact. energy: -2.791
local terms energy: -378.408125
where:
bonds (distance) C4'-P energy: -65.570
bonds (distance) P-C4' energy: -75.877
flat angles C4'-P-C4' energy: -81.975
flat angles P-C4'-P energy: -50.045
tors. eta vs tors. theta energy: -104.941
Dist. restrs. and SS energy: 4.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -1225.534401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.534401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.526212 (E_RNA)
where:
Base-Base interactions energy: -856.631
where: short stacking energy: -338.204
Base-Backbone interact. energy: -0.189
local terms energy: -371.705618
where:
bonds (distance) C4'-P energy: -74.838
bonds (distance) P-C4' energy: -69.232
flat angles C4'-P-C4' energy: -78.487
flat angles P-C4'-P energy: -52.807
tors. eta vs tors. theta energy: -96.341
Dist. restrs. and SS energy: 2.992 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -1121.033652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.033652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.409323 (E_RNA)
where:
Base-Base interactions energy: -782.214
where: short stacking energy: -321.415
Base-Backbone interact. energy: -1.409
local terms energy: -340.785813
where:
bonds (distance) C4'-P energy: -60.665
bonds (distance) P-C4' energy: -62.712
flat angles C4'-P-C4' energy: -78.142
flat angles P-C4'-P energy: -47.420
tors. eta vs tors. theta energy: -91.846
Dist. restrs. and SS energy: 3.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -1096.869713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.869713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.645056 (E_RNA)
where:
Base-Base interactions energy: -760.247
where: short stacking energy: -333.790
Base-Backbone interact. energy: 0.250
local terms energy: -343.647607
where:
bonds (distance) C4'-P energy: -69.404
bonds (distance) P-C4' energy: -65.146
flat angles C4'-P-C4' energy: -72.012
flat angles P-C4'-P energy: -48.796
tors. eta vs tors. theta energy: -88.290
Dist. restrs. and SS energy: 6.775 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -1015.721567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.721567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.799907 (E_RNA)
where:
Base-Base interactions energy: -704.737
where: short stacking energy: -256.411
Base-Backbone interact. energy: 1.484
local terms energy: -315.546935
where:
bonds (distance) C4'-P energy: -53.783
bonds (distance) P-C4' energy: -71.896
flat angles C4'-P-C4' energy: -79.235
flat angles P-C4'-P energy: -46.193
tors. eta vs tors. theta energy: -64.440
Dist. restrs. and SS energy: 3.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -958.395948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.395948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.975803 (E_RNA)
where:
Base-Base interactions energy: -691.013
where: short stacking energy: -271.072
Base-Backbone interact. energy: 1.603
local terms energy: -274.565582
where:
bonds (distance) C4'-P energy: -54.957
bonds (distance) P-C4' energy: -58.250
flat angles C4'-P-C4' energy: -59.636
flat angles P-C4'-P energy: -36.835
tors. eta vs tors. theta energy: -64.888
Dist. restrs. and SS energy: 5.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -1006.776231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.776231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.851909 (E_RNA)
where:
Base-Base interactions energy: -704.358
where: short stacking energy: -281.374
Base-Backbone interact. energy: -1.288
local terms energy: -306.206024
where:
bonds (distance) C4'-P energy: -60.341
bonds (distance) P-C4' energy: -54.491
flat angles C4'-P-C4' energy: -63.446
flat angles P-C4'-P energy: -47.264
tors. eta vs tors. theta energy: -80.665
Dist. restrs. and SS energy: 5.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -906.559019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.559019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.423640 (E_RNA)
where:
Base-Base interactions energy: -618.234
where: short stacking energy: -235.607
Base-Backbone interact. energy: -1.389
local terms energy: -291.800221
where:
bonds (distance) C4'-P energy: -55.463
bonds (distance) P-C4' energy: -65.437
flat angles C4'-P-C4' energy: -66.365
flat angles P-C4'-P energy: -36.155
tors. eta vs tors. theta energy: -68.381
Dist. restrs. and SS energy: 4.865 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -872.907801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.907801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.953875 (E_RNA)
where:
Base-Base interactions energy: -621.741
where: short stacking energy: -238.724
Base-Backbone interact. energy: 0.319
local terms energy: -259.531849
where:
bonds (distance) C4'-P energy: -48.747
bonds (distance) P-C4' energy: -56.993
flat angles C4'-P-C4' energy: -68.026
flat angles P-C4'-P energy: -27.811
tors. eta vs tors. theta energy: -57.955
Dist. restrs. and SS energy: 8.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -791.662601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.662601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.596049 (E_RNA)
where:
Base-Base interactions energy: -582.971
where: short stacking energy: -228.700
Base-Backbone interact. energy: -0.653
local terms energy: -221.972530
where:
bonds (distance) C4'-P energy: -47.582
bonds (distance) P-C4' energy: -51.858
flat angles C4'-P-C4' energy: -51.377
flat angles P-C4'-P energy: -23.381
tors. eta vs tors. theta energy: -47.774
Dist. restrs. and SS energy: 13.933 (S_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: 217
Temperature: 0.900000
Total energy: -1219.011853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.011853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.247679 (E_RNA)
where:
Base-Base interactions energy: -846.989
where: short stacking energy: -365.558
Base-Backbone interact. energy: 0.139
local terms energy: -377.398277
where:
bonds (distance) C4'-P energy: -75.392
bonds (distance) P-C4' energy: -65.985
flat angles C4'-P-C4' energy: -77.475
flat angles P-C4'-P energy: -51.327
tors. eta vs tors. theta energy: -107.218
Dist. restrs. and SS energy: 5.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -1204.146517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.146517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.173795 (E_RNA)
where:
Base-Base interactions energy: -862.800
where: short stacking energy: -330.327
Base-Backbone interact. energy: 2.366
local terms energy: -346.739629
where:
bonds (distance) C4'-P energy: -63.926
bonds (distance) P-C4' energy: -72.888
flat angles C4'-P-C4' energy: -72.656
flat angles P-C4'-P energy: -45.312
tors. eta vs tors. theta energy: -91.958
Dist. restrs. and SS energy: 3.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -1105.099470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.099470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.472620 (E_RNA)
where:
Base-Base interactions energy: -764.833
where: short stacking energy: -322.266
Base-Backbone interact. energy: -1.368
local terms energy: -342.271303
where:
bonds (distance) C4'-P energy: -61.314
bonds (distance) P-C4' energy: -65.671
flat angles C4'-P-C4' energy: -72.738
flat angles P-C4'-P energy: -51.661
tors. eta vs tors. theta energy: -90.887
Dist. restrs. and SS energy: 3.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -1099.491814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.491814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.399890 (E_RNA)
where:
Base-Base interactions energy: -765.418
where: short stacking energy: -322.054
Base-Backbone interact. energy: -1.127
local terms energy: -339.854841
where:
bonds (distance) C4'-P energy: -55.331
bonds (distance) P-C4' energy: -66.294
flat angles C4'-P-C4' energy: -70.575
flat angles P-C4'-P energy: -50.370
tors. eta vs tors. theta energy: -97.284
Dist. restrs. and SS energy: 6.908 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -1034.499852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.499852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.035134 (E_RNA)
where:
Base-Base interactions energy: -735.365
where: short stacking energy: -294.331
Base-Backbone interact. energy: 3.024
local terms energy: -305.693601
where:
bonds (distance) C4'-P energy: -47.793
bonds (distance) P-C4' energy: -60.176
flat angles C4'-P-C4' energy: -73.364
flat angles P-C4'-P energy: -43.339
tors. eta vs tors. theta energy: -81.022
Dist. restrs. and SS energy: 3.535 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -1014.076123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.076123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.147918 (E_RNA)
where:
Base-Base interactions energy: -719.931
where: short stacking energy: -279.753
Base-Backbone interact. energy: 1.237
local terms energy: -300.453603
where:
bonds (distance) C4'-P energy: -54.417
bonds (distance) P-C4' energy: -55.399
flat angles C4'-P-C4' energy: -61.063
flat angles P-C4'-P energy: -49.720
tors. eta vs tors. theta energy: -79.855
Dist. restrs. and SS energy: 5.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -933.606697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.606697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.946794 (E_RNA)
where:
Base-Base interactions energy: -673.285
where: short stacking energy: -263.350
Base-Backbone interact. energy: -0.319
local terms energy: -263.343462
where:
bonds (distance) C4'-P energy: -34.246
bonds (distance) P-C4' energy: -68.650
flat angles C4'-P-C4' energy: -60.747
flat angles P-C4'-P energy: -42.630
tors. eta vs tors. theta energy: -57.071
Dist. restrs. and SS energy: 3.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -903.786458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.786458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.010444 (E_RNA)
where:
Base-Base interactions energy: -616.501
where: short stacking energy: -231.696
Base-Backbone interact. energy: -0.968
local terms energy: -291.540963
where:
bonds (distance) C4'-P energy: -63.147
bonds (distance) P-C4' energy: -63.623
flat angles C4'-P-C4' energy: -69.406
flat angles P-C4'-P energy: -38.062
tors. eta vs tors. theta energy: -57.304
Dist. restrs. and SS energy: 5.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -876.921099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.921099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.935287 (E_RNA)
where:
Base-Base interactions energy: -619.159
where: short stacking energy: -254.681
Base-Backbone interact. energy: 4.391
local terms energy: -266.167021
where:
bonds (distance) C4'-P energy: -36.208
bonds (distance) P-C4' energy: -57.787
flat angles C4'-P-C4' energy: -62.734
flat angles P-C4'-P energy: -42.176
tors. eta vs tors. theta energy: -67.262
Dist. restrs. and SS energy: 4.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -798.970267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.970267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.900167 (E_RNA)
where:
Base-Base interactions energy: -569.145
where: short stacking energy: -220.423
Base-Backbone interact. energy: 3.722
local terms energy: -238.477172
where:
bonds (distance) C4'-P energy: -42.398
bonds (distance) P-C4' energy: -47.088
flat angles C4'-P-C4' energy: -53.958
flat angles P-C4'-P energy: -42.104
tors. eta vs tors. theta energy: -52.930
Dist. restrs. and SS energy: 4.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -1198.244388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.244388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.277094 (E_RNA)
where:
Base-Base interactions energy: -865.058
where: short stacking energy: -328.167
Base-Backbone interact. energy: -1.423
local terms energy: -334.796577
where:
bonds (distance) C4'-P energy: -61.316
bonds (distance) P-C4' energy: -61.571
flat angles C4'-P-C4' energy: -75.070
flat angles P-C4'-P energy: -42.769
tors. eta vs tors. theta energy: -94.071
Dist. restrs. and SS energy: 3.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -1213.703942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.703942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.418064 (E_RNA)
where:
Base-Base interactions energy: -847.679
where: short stacking energy: -356.081
Base-Backbone interact. energy: -2.646
local terms energy: -367.093724
where:
bonds (distance) C4'-P energy: -70.635
bonds (distance) P-C4' energy: -65.304
flat angles C4'-P-C4' energy: -68.251
flat angles P-C4'-P energy: -56.379
tors. eta vs tors. theta energy: -106.525
Dist. restrs. and SS energy: 3.714 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -1130.685880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.685880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.029125 (E_RNA)
where:
Base-Base interactions energy: -792.834
where: short stacking energy: -305.739
Base-Backbone interact. energy: -1.422
local terms energy: -340.773128
where:
bonds (distance) C4'-P energy: -68.035
bonds (distance) P-C4' energy: -71.611
flat angles C4'-P-C4' energy: -67.292
flat angles P-C4'-P energy: -54.430
tors. eta vs tors. theta energy: -79.405
Dist. restrs. and SS energy: 4.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -1083.506252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.506252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.687431 (E_RNA)
where:
Base-Base interactions energy: -754.858
where: short stacking energy: -315.240
Base-Backbone interact. energy: 2.439
local terms energy: -339.267629
where:
bonds (distance) C4'-P energy: -60.299
bonds (distance) P-C4' energy: -70.347
flat angles C4'-P-C4' energy: -68.267
flat angles P-C4'-P energy: -54.260
tors. eta vs tors. theta energy: -86.095
Dist. restrs. and SS energy: 8.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -1048.494876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.494876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.794276 (E_RNA)
where:
Base-Base interactions energy: -736.822
where: short stacking energy: -302.005
Base-Backbone interact. energy: -1.484
local terms energy: -313.488294
where:
bonds (distance) C4'-P energy: -51.697
bonds (distance) P-C4' energy: -66.482
flat angles C4'-P-C4' energy: -74.492
flat angles P-C4'-P energy: -44.922
tors. eta vs tors. theta energy: -75.895
Dist. restrs. and SS energy: 3.299 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -968.666246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.666246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.287957 (E_RNA)
where:
Base-Base interactions energy: -661.726
where: short stacking energy: -255.889
Base-Backbone interact. energy: -2.037
local terms energy: -310.524829
where:
bonds (distance) C4'-P energy: -68.914
bonds (distance) P-C4' energy: -70.175
flat angles C4'-P-C4' energy: -61.916
flat angles P-C4'-P energy: -39.938
tors. eta vs tors. theta energy: -69.582
Dist. restrs. and SS energy: 5.622 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -987.035074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.035074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.207743 (E_RNA)
where:
Base-Base interactions energy: -679.125
where: short stacking energy: -268.748
Base-Backbone interact. energy: -1.999
local terms energy: -310.084567
where:
bonds (distance) C4'-P energy: -60.363
bonds (distance) P-C4' energy: -58.675
flat angles C4'-P-C4' energy: -75.637
flat angles P-C4'-P energy: -40.944
tors. eta vs tors. theta energy: -74.466
Dist. restrs. and SS energy: 4.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -908.824737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.824737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.016520 (E_RNA)
where:
Base-Base interactions energy: -652.420
where: short stacking energy: -229.443
Base-Backbone interact. energy: -4.539
local terms energy: -259.056738
where:
bonds (distance) C4'-P energy: -52.196
bonds (distance) P-C4' energy: -50.421
flat angles C4'-P-C4' energy: -59.982
flat angles P-C4'-P energy: -46.680
tors. eta vs tors. theta energy: -49.778
Dist. restrs. and SS energy: 7.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -872.962132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.962132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.902119 (E_RNA)
where:
Base-Base interactions energy: -601.210
where: short stacking energy: -228.047
Base-Backbone interact. energy: -0.867
local terms energy: -273.825543
where:
bonds (distance) C4'-P energy: -64.402
bonds (distance) P-C4' energy: -55.350
flat angles C4'-P-C4' energy: -64.838
flat angles P-C4'-P energy: -33.566
tors. eta vs tors. theta energy: -55.670
Dist. restrs. and SS energy: 2.940 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -805.166455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.166455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.537406 (E_RNA)
where:
Base-Base interactions energy: -590.323
where: short stacking energy: -201.691
Base-Backbone interact. energy: 0.362
local terms energy: -219.575970
where:
bonds (distance) C4'-P energy: -51.943
bonds (distance) P-C4' energy: -48.517
flat angles C4'-P-C4' energy: -50.916
flat angles P-C4'-P energy: -30.034
tors. eta vs tors. theta energy: -38.165
Dist. restrs. and SS energy: 4.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -1195.915435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.915435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.801113 (E_RNA)
where:
Base-Base interactions energy: -836.801
where: short stacking energy: -333.676
Base-Backbone interact. energy: -0.960
local terms energy: -361.040082
where:
bonds (distance) C4'-P energy: -71.115
bonds (distance) P-C4' energy: -70.508
flat angles C4'-P-C4' energy: -78.034
flat angles P-C4'-P energy: -54.284
tors. eta vs tors. theta energy: -87.099
Dist. restrs. and SS energy: 2.886 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -1203.505121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.505121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.040973 (E_RNA)
where:
Base-Base interactions energy: -846.323
where: short stacking energy: -353.089
Base-Backbone interact. energy: -1.224
local terms energy: -359.494098
where:
bonds (distance) C4'-P energy: -68.897
bonds (distance) P-C4' energy: -68.374
flat angles C4'-P-C4' energy: -66.876
flat angles P-C4'-P energy: -51.013
tors. eta vs tors. theta energy: -104.335
Dist. restrs. and SS energy: 3.536 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -1118.242184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.242184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.343624 (E_RNA)
where:
Base-Base interactions energy: -792.042
where: short stacking energy: -313.477
Base-Backbone interact. energy: -0.156
local terms energy: -329.146151
where:
bonds (distance) C4'-P energy: -64.618
bonds (distance) P-C4' energy: -61.928
flat angles C4'-P-C4' energy: -79.146
flat angles P-C4'-P energy: -40.918
tors. eta vs tors. theta energy: -82.536
Dist. restrs. and SS energy: 3.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -1067.537414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.537414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.505161 (E_RNA)
where:
Base-Base interactions energy: -754.558
where: short stacking energy: -322.613
Base-Backbone interact. energy: -1.694
local terms energy: -319.254055
where:
bonds (distance) C4'-P energy: -53.661
bonds (distance) P-C4' energy: -75.266
flat angles C4'-P-C4' energy: -66.503
flat angles P-C4'-P energy: -42.048
tors. eta vs tors. theta energy: -81.777
Dist. restrs. and SS energy: 7.968 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -1061.523074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.523074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.221783 (E_RNA)
where:
Base-Base interactions energy: -753.126
where: short stacking energy: -304.870
Base-Backbone interact. energy: -0.682
local terms energy: -311.414412
where:
bonds (distance) C4'-P energy: -54.678
bonds (distance) P-C4' energy: -69.873
flat angles C4'-P-C4' energy: -59.021
flat angles P-C4'-P energy: -51.321
tors. eta vs tors. theta energy: -76.522
Dist. restrs. and SS energy: 3.699 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -1012.041569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.041569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.677431 (E_RNA)
where:
Base-Base interactions energy: -722.744
where: short stacking energy: -295.202
Base-Backbone interact. energy: 1.832
local terms energy: -297.765247
where:
bonds (distance) C4'-P energy: -52.070
bonds (distance) P-C4' energy: -66.250
flat angles C4'-P-C4' energy: -67.426
flat angles P-C4'-P energy: -38.659
tors. eta vs tors. theta energy: -73.360
Dist. restrs. and SS energy: 6.636 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -921.904350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.904350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.334770 (E_RNA)
where:
Base-Base interactions energy: -643.921
where: short stacking energy: -251.533
Base-Backbone interact. energy: 0.022
local terms energy: -282.436234
where:
bonds (distance) C4'-P energy: -55.057
bonds (distance) P-C4' energy: -66.375
flat angles C4'-P-C4' energy: -55.950
flat angles P-C4'-P energy: -44.230
tors. eta vs tors. theta energy: -60.824
Dist. restrs. and SS energy: 4.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -920.832453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.832453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.638163 (E_RNA)
where:
Base-Base interactions energy: -629.095
where: short stacking energy: -254.838
Base-Backbone interact. energy: -1.219
local terms energy: -295.323973
where:
bonds (distance) C4'-P energy: -66.799
bonds (distance) P-C4' energy: -63.310
flat angles C4'-P-C4' energy: -65.275
flat angles P-C4'-P energy: -43.741
tors. eta vs tors. theta energy: -56.199
Dist. restrs. and SS energy: 4.806 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -891.147442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.147442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.628013 (E_RNA)
where:
Base-Base interactions energy: -633.559
where: short stacking energy: -257.932
Base-Backbone interact. energy: -0.278
local terms energy: -262.790995
where:
bonds (distance) C4'-P energy: -58.384
bonds (distance) P-C4' energy: -48.103
flat angles C4'-P-C4' energy: -46.486
flat angles P-C4'-P energy: -51.260
tors. eta vs tors. theta energy: -58.557
Dist. restrs. and SS energy: 5.481 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -792.289160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.289160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.763017 (E_RNA)
where:
Base-Base interactions energy: -583.825
where: short stacking energy: -212.964
Base-Backbone interact. energy: -0.206
local terms energy: -213.732422
where:
bonds (distance) C4'-P energy: -35.635
bonds (distance) P-C4' energy: -54.537
flat angles C4'-P-C4' energy: -47.834
flat angles P-C4'-P energy: -31.081
tors. eta vs tors. theta energy: -44.646
Dist. restrs. and SS energy: 5.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -1238.612355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.612355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.459583 (E_RNA)
where:
Base-Base interactions energy: -859.661
where: short stacking energy: -347.322
Base-Backbone interact. energy: -2.847
local terms energy: -379.951456
where:
bonds (distance) C4'-P energy: -64.421
bonds (distance) P-C4' energy: -72.659
flat angles C4'-P-C4' energy: -77.211
flat angles P-C4'-P energy: -57.447
tors. eta vs tors. theta energy: -108.214
Dist. restrs. and SS energy: 3.847 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -1178.562152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.562152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.548462 (E_RNA)
where:
Base-Base interactions energy: -830.373
where: short stacking energy: -330.144
Base-Backbone interact. energy: 3.227
local terms energy: -354.403051
where:
bonds (distance) C4'-P energy: -70.018
bonds (distance) P-C4' energy: -61.794
flat angles C4'-P-C4' energy: -77.136
flat angles P-C4'-P energy: -53.714
tors. eta vs tors. theta energy: -91.741
Dist. restrs. and SS energy: 2.986 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -1131.300526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.300526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.518847 (E_RNA)
where:
Base-Base interactions energy: -777.275
where: short stacking energy: -297.961
Base-Backbone interact. energy: 1.496
local terms energy: -359.740376
where:
bonds (distance) C4'-P energy: -65.927
bonds (distance) P-C4' energy: -71.460
flat angles C4'-P-C4' energy: -79.319
flat angles P-C4'-P energy: -58.259
tors. eta vs tors. theta energy: -84.775
Dist. restrs. and SS energy: 4.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -1104.048462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.048462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.749019 (E_RNA)
where:
Base-Base interactions energy: -756.451
where: short stacking energy: -306.585
Base-Backbone interact. energy: -0.854
local terms energy: -349.444566
where:
bonds (distance) C4'-P energy: -63.865
bonds (distance) P-C4' energy: -65.641
flat angles C4'-P-C4' energy: -74.471
flat angles P-C4'-P energy: -50.972
tors. eta vs tors. theta energy: -94.496
Dist. restrs. and SS energy: 2.701 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -1041.127810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.127810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.727172 (E_RNA)
where:
Base-Base interactions energy: -720.731
where: short stacking energy: -282.429
Base-Backbone interact. energy: -2.108
local terms energy: -322.887797
where:
bonds (distance) C4'-P energy: -64.483
bonds (distance) P-C4' energy: -64.456
flat angles C4'-P-C4' energy: -61.434
flat angles P-C4'-P energy: -52.242
tors. eta vs tors. theta energy: -80.273
Dist. restrs. and SS energy: 4.599 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -1015.276916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.276916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.944251 (E_RNA)
where:
Base-Base interactions energy: -715.693
where: short stacking energy: -289.717
Base-Backbone interact. energy: -1.319
local terms energy: -304.932785
where:
bonds (distance) C4'-P energy: -57.010
bonds (distance) P-C4' energy: -59.435
flat angles C4'-P-C4' energy: -72.611
flat angles P-C4'-P energy: -43.283
tors. eta vs tors. theta energy: -72.594
Dist. restrs. and SS energy: 6.667 (S_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: -920.727015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.727015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.867479 (E_RNA)
where:
Base-Base interactions energy: -650.431
where: short stacking energy: -251.635
Base-Backbone interact. energy: -1.182
local terms energy: -277.253881
where:
bonds (distance) C4'-P energy: -57.465
bonds (distance) P-C4' energy: -55.732
flat angles C4'-P-C4' energy: -55.783
flat angles P-C4'-P energy: -44.966
tors. eta vs tors. theta energy: -63.308
Dist. restrs. and SS energy: 8.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -912.764799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.764799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.373925 (E_RNA)
where:
Base-Base interactions energy: -641.934
where: short stacking energy: -251.429
Base-Backbone interact. energy: 1.780
local terms energy: -276.219701
where:
bonds (distance) C4'-P energy: -53.806
bonds (distance) P-C4' energy: -54.960
flat angles C4'-P-C4' energy: -71.089
flat angles P-C4'-P energy: -37.459
tors. eta vs tors. theta energy: -58.905
Dist. restrs. and SS energy: 3.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -875.430047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.430047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.299638 (E_RNA)
where:
Base-Base interactions energy: -639.265
where: short stacking energy: -250.856
Base-Backbone interact. energy: 0.895
local terms energy: -244.929725
where:
bonds (distance) C4'-P energy: -47.462
bonds (distance) P-C4' energy: -52.817
flat angles C4'-P-C4' energy: -47.582
flat angles P-C4'-P energy: -34.495
tors. eta vs tors. theta energy: -62.573
Dist. restrs. and SS energy: 7.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -834.161164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.161164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.509842 (E_RNA)
where:
Base-Base interactions energy: -601.350
where: short stacking energy: -239.846
Base-Backbone interact. energy: 5.140
local terms energy: -246.299456
where:
bonds (distance) C4'-P energy: -44.977
bonds (distance) P-C4' energy: -55.601
flat angles C4'-P-C4' energy: -60.795
flat angles P-C4'-P energy: -25.262
tors. eta vs tors. theta energy: -59.664
Dist. restrs. and SS energy: 8.349 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -1232.628309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.628309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.026422 (E_RNA)
where:
Base-Base interactions energy: -862.330
where: short stacking energy: -346.377
Base-Backbone interact. energy: -2.684
local terms energy: -372.012721
where:
bonds (distance) C4'-P energy: -64.814
bonds (distance) P-C4' energy: -66.439
flat angles C4'-P-C4' energy: -78.534
flat angles P-C4'-P energy: -53.644
tors. eta vs tors. theta energy: -108.582
Dist. restrs. and SS energy: 4.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -1184.409443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.409443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.540300 (E_RNA)
where:
Base-Base interactions energy: -836.760
where: short stacking energy: -329.789
Base-Backbone interact. energy: -3.703
local terms energy: -347.077607
where:
bonds (distance) C4'-P energy: -58.794
bonds (distance) P-C4' energy: -73.268
flat angles C4'-P-C4' energy: -71.867
flat angles P-C4'-P energy: -51.367
tors. eta vs tors. theta energy: -91.782
Dist. restrs. and SS energy: 3.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -1117.756863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.756863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.911015 (E_RNA)
where:
Base-Base interactions energy: -787.718
where: short stacking energy: -332.882
Base-Backbone interact. energy: -0.225
local terms energy: -332.967932
where:
bonds (distance) C4'-P energy: -51.250
bonds (distance) P-C4' energy: -72.889
flat angles C4'-P-C4' energy: -73.621
flat angles P-C4'-P energy: -52.395
tors. eta vs tors. theta energy: -82.813
Dist. restrs. and SS energy: 3.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -1081.085782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.085782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.372058 (E_RNA)
where:
Base-Base interactions energy: -730.172
where: short stacking energy: -311.251
Base-Backbone interact. energy: -0.850
local terms energy: -353.350738
where:
bonds (distance) C4'-P energy: -60.677
bonds (distance) P-C4' energy: -63.583
flat angles C4'-P-C4' energy: -76.008
flat angles P-C4'-P energy: -52.136
tors. eta vs tors. theta energy: -100.947
Dist. restrs. and SS energy: 3.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -1100.387191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.387191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.511225 (E_RNA)
where:
Base-Base interactions energy: -748.632
where: short stacking energy: -311.459
Base-Backbone interact. energy: -0.532
local terms energy: -354.346808
where:
bonds (distance) C4'-P energy: -56.703
bonds (distance) P-C4' energy: -74.235
flat angles C4'-P-C4' energy: -80.163
flat angles P-C4'-P energy: -47.888
tors. eta vs tors. theta energy: -95.358
Dist. restrs. and SS energy: 3.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -1020.616169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.616169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.294473 (E_RNA)
where:
Base-Base interactions energy: -715.759
where: short stacking energy: -280.949
Base-Backbone interact. energy: -1.975
local terms energy: -306.560231
where:
bonds (distance) C4'-P energy: -55.862
bonds (distance) P-C4' energy: -66.918
flat angles C4'-P-C4' energy: -72.393
flat angles P-C4'-P energy: -39.350
tors. eta vs tors. theta energy: -72.038
Dist. restrs. and SS energy: 3.678 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -927.328716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.328716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.812272 (E_RNA)
where:
Base-Base interactions energy: -660.106
where: short stacking energy: -260.432
Base-Backbone interact. energy: 0.348
local terms energy: -271.053858
where:
bonds (distance) C4'-P energy: -58.021
bonds (distance) P-C4' energy: -49.826
flat angles C4'-P-C4' energy: -63.794
flat angles P-C4'-P energy: -35.472
tors. eta vs tors. theta energy: -63.941
Dist. restrs. and SS energy: 3.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -932.019793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.019793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.831958 (E_RNA)
where:
Base-Base interactions energy: -655.163
where: short stacking energy: -253.315
Base-Backbone interact. energy: -1.448
local terms energy: -279.220219
where:
bonds (distance) C4'-P energy: -56.585
bonds (distance) P-C4' energy: -61.211
flat angles C4'-P-C4' energy: -62.530
flat angles P-C4'-P energy: -41.793
tors. eta vs tors. theta energy: -57.101
Dist. restrs. and SS energy: 3.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -856.833327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.833327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.771738 (E_RNA)
where:
Base-Base interactions energy: -613.773
where: short stacking energy: -251.127
Base-Backbone interact. energy: -0.793
local terms energy: -255.206315
where:
bonds (distance) C4'-P energy: -44.133
bonds (distance) P-C4' energy: -48.925
flat angles C4'-P-C4' energy: -63.093
flat angles P-C4'-P energy: -39.054
tors. eta vs tors. theta energy: -60.001
Dist. restrs. and SS energy: 12.938 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -804.745812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.745812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.390783 (E_RNA)
where:
Base-Base interactions energy: -571.107
where: short stacking energy: -219.652
Base-Backbone interact. energy: 0.784
local terms energy: -246.068121
where:
bonds (distance) C4'-P energy: -52.570
bonds (distance) P-C4' energy: -66.581
flat angles C4'-P-C4' energy: -57.015
flat angles P-C4'-P energy: -25.588
tors. eta vs tors. theta energy: -44.315
Dist. restrs. and SS energy: 11.645 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -1233.425375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.425375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.623960 (E_RNA)
where:
Base-Base interactions energy: -870.595
where: short stacking energy: -346.459
Base-Backbone interact. energy: -2.450
local terms energy: -363.578614
where:
bonds (distance) C4'-P energy: -62.377
bonds (distance) P-C4' energy: -72.769
flat angles C4'-P-C4' energy: -76.886
flat angles P-C4'-P energy: -49.465
tors. eta vs tors. theta energy: -102.081
Dist. restrs. and SS energy: 3.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -1176.609563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.609563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.272001 (E_RNA)
where:
Base-Base interactions energy: -838.510
where: short stacking energy: -327.378
Base-Backbone interact. energy: -2.527
local terms energy: -338.235662
where:
bonds (distance) C4'-P energy: -63.445
bonds (distance) P-C4' energy: -62.061
flat angles C4'-P-C4' energy: -67.666
flat angles P-C4'-P energy: -51.890
tors. eta vs tors. theta energy: -93.173
Dist. restrs. and SS energy: 2.662 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -1123.619757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.619757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.056769 (E_RNA)
where:
Base-Base interactions energy: -791.819
where: short stacking energy: -319.757
Base-Backbone interact. energy: -2.150
local terms energy: -335.088530
where:
bonds (distance) C4'-P energy: -60.657
bonds (distance) P-C4' energy: -57.219
flat angles C4'-P-C4' energy: -72.353
flat angles P-C4'-P energy: -52.576
tors. eta vs tors. theta energy: -92.283
Dist. restrs. and SS energy: 5.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -1054.430140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.430140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.912512 (E_RNA)
where:
Base-Base interactions energy: -727.723
where: short stacking energy: -304.695
Base-Backbone interact. energy: -0.512
local terms energy: -330.676985
where:
bonds (distance) C4'-P energy: -55.394
bonds (distance) P-C4' energy: -69.447
flat angles C4'-P-C4' energy: -68.434
flat angles P-C4'-P energy: -52.386
tors. eta vs tors. theta energy: -85.016
Dist. restrs. and SS energy: 4.482 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -1060.318142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.318142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.314399 (E_RNA)
where:
Base-Base interactions energy: -741.731
where: short stacking energy: -299.178
Base-Backbone interact. energy: 0.005
local terms energy: -321.588014
where:
bonds (distance) C4'-P energy: -62.554
bonds (distance) P-C4' energy: -60.573
flat angles C4'-P-C4' energy: -70.063
flat angles P-C4'-P energy: -42.612
tors. eta vs tors. theta energy: -85.786
Dist. restrs. and SS energy: 2.996 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -1008.058768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.058768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.061421 (E_RNA)
where:
Base-Base interactions energy: -694.554
where: short stacking energy: -285.304
Base-Backbone interact. energy: -1.589
local terms energy: -317.918928
where:
bonds (distance) C4'-P energy: -53.114
bonds (distance) P-C4' energy: -70.750
flat angles C4'-P-C4' energy: -66.721
flat angles P-C4'-P energy: -44.432
tors. eta vs tors. theta energy: -82.902
Dist. restrs. and SS energy: 6.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -1004.549955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.549955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.969105 (E_RNA)
where:
Base-Base interactions energy: -682.666
where: short stacking energy: -298.034
Base-Backbone interact. energy: -0.444
local terms energy: -324.859266
where:
bonds (distance) C4'-P energy: -53.972
bonds (distance) P-C4' energy: -78.992
flat angles C4'-P-C4' energy: -73.450
flat angles P-C4'-P energy: -46.131
tors. eta vs tors. theta energy: -72.314
Dist. restrs. and SS energy: 3.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -906.476808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.476808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.210449 (E_RNA)
where:
Base-Base interactions energy: -640.426
where: short stacking energy: -263.126
Base-Backbone interact. energy: 0.006
local terms energy: -274.790333
where:
bonds (distance) C4'-P energy: -51.884
bonds (distance) P-C4' energy: -71.099
flat angles C4'-P-C4' energy: -54.402
flat angles P-C4'-P energy: -43.029
tors. eta vs tors. theta energy: -54.376
Dist. restrs. and SS energy: 8.734 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -871.579680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.579680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.785814 (E_RNA)
where:
Base-Base interactions energy: -631.153
where: short stacking energy: -247.542
Base-Backbone interact. energy: -0.003
local terms energy: -246.629684
where:
bonds (distance) C4'-P energy: -48.762
bonds (distance) P-C4' energy: -52.937
flat angles C4'-P-C4' energy: -49.336
flat angles P-C4'-P energy: -38.172
tors. eta vs tors. theta energy: -57.423
Dist. restrs. and SS energy: 6.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -811.337052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.337052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.501687 (E_RNA)
where:
Base-Base interactions energy: -576.307
where: short stacking energy: -231.125
Base-Backbone interact. energy: -1.419
local terms energy: -244.775358
where:
bonds (distance) C4'-P energy: -38.926
bonds (distance) P-C4' energy: -58.853
flat angles C4'-P-C4' energy: -58.337
flat angles P-C4'-P energy: -33.445
tors. eta vs tors. theta energy: -55.214
Dist. restrs. and SS energy: 11.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -1229.731402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.731402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.221387 (E_RNA)
where:
Base-Base interactions energy: -869.603
where: short stacking energy: -357.579
Base-Backbone interact. energy: 0.042
local terms energy: -362.659944
where:
bonds (distance) C4'-P energy: -56.935
bonds (distance) P-C4' energy: -75.675
flat angles C4'-P-C4' energy: -75.956
flat angles P-C4'-P energy: -48.674
tors. eta vs tors. theta energy: -105.421
Dist. restrs. and SS energy: 2.490 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -1198.305425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.305425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.101472 (E_RNA)
where:
Base-Base interactions energy: -863.021
where: short stacking energy: -324.977
Base-Backbone interact. energy: -3.468
local terms energy: -335.613094
where:
bonds (distance) C4'-P energy: -68.900
bonds (distance) P-C4' energy: -64.574
flat angles C4'-P-C4' energy: -75.240
flat angles P-C4'-P energy: -49.682
tors. eta vs tors. theta energy: -77.217
Dist. restrs. and SS energy: 3.796 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -1112.305492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.305492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.834051 (E_RNA)
where:
Base-Base interactions energy: -774.997
where: short stacking energy: -320.981
Base-Backbone interact. energy: -0.827
local terms energy: -340.009993
where:
bonds (distance) C4'-P energy: -66.168
bonds (distance) P-C4' energy: -65.834
flat angles C4'-P-C4' energy: -65.955
flat angles P-C4'-P energy: -54.761
tors. eta vs tors. theta energy: -87.292
Dist. restrs. and SS energy: 3.529 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -1064.758252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.758252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.143556 (E_RNA)
where:
Base-Base interactions energy: -748.140
where: short stacking energy: -301.294
Base-Backbone interact. energy: -1.581
local terms energy: -318.423181
where:
bonds (distance) C4'-P energy: -60.085
bonds (distance) P-C4' energy: -69.677
flat angles C4'-P-C4' energy: -56.810
flat angles P-C4'-P energy: -50.684
tors. eta vs tors. theta energy: -81.167
Dist. restrs. and SS energy: 3.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -1041.809443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.809443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.660759 (E_RNA)
where:
Base-Base interactions energy: -729.705
where: short stacking energy: -298.498
Base-Backbone interact. energy: -3.242
local terms energy: -311.713142
where:
bonds (distance) C4'-P energy: -55.466
bonds (distance) P-C4' energy: -60.748
flat angles C4'-P-C4' energy: -61.104
flat angles P-C4'-P energy: -49.914
tors. eta vs tors. theta energy: -84.481
Dist. restrs. and SS energy: 2.851 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -1020.568530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.568530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.051477 (E_RNA)
where:
Base-Base interactions energy: -718.170
where: short stacking energy: -279.084
Base-Backbone interact. energy: -1.034
local terms energy: -304.847563
where:
bonds (distance) C4'-P energy: -62.266
bonds (distance) P-C4' energy: -60.073
flat angles C4'-P-C4' energy: -51.687
flat angles P-C4'-P energy: -45.547
tors. eta vs tors. theta energy: -85.274
Dist. restrs. and SS energy: 3.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -951.470100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.470100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.067289 (E_RNA)
where:
Base-Base interactions energy: -669.604
where: short stacking energy: -272.438
Base-Backbone interact. energy: -2.086
local terms energy: -284.377723
where:
bonds (distance) C4'-P energy: -57.071
bonds (distance) P-C4' energy: -61.862
flat angles C4'-P-C4' energy: -56.698
flat angles P-C4'-P energy: -47.736
tors. eta vs tors. theta energy: -61.010
Dist. restrs. and SS energy: 4.597 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -911.643038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.643038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.713486 (E_RNA)
where:
Base-Base interactions energy: -640.918
where: short stacking energy: -261.531
Base-Backbone interact. energy: 2.394
local terms energy: -280.189569
where:
bonds (distance) C4'-P energy: -56.203
bonds (distance) P-C4' energy: -61.311
flat angles C4'-P-C4' energy: -60.161
flat angles P-C4'-P energy: -35.431
tors. eta vs tors. theta energy: -67.084
Dist. restrs. and SS energy: 7.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -859.061778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.061778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.017888 (E_RNA)
where:
Base-Base interactions energy: -612.985
where: short stacking energy: -241.008
Base-Backbone interact. energy: -2.504
local terms energy: -249.529291
where:
bonds (distance) C4'-P energy: -56.543
bonds (distance) P-C4' energy: -50.028
flat angles C4'-P-C4' energy: -49.546
flat angles P-C4'-P energy: -38.110
tors. eta vs tors. theta energy: -55.302
Dist. restrs. and SS energy: 5.956 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -825.695227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.695227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.379403 (E_RNA)
where:
Base-Base interactions energy: -599.907
where: short stacking energy: -220.705
Base-Backbone interact. energy: -1.354
local terms energy: -233.118590
where:
bonds (distance) C4'-P energy: -48.513
bonds (distance) P-C4' energy: -47.771
flat angles C4'-P-C4' energy: -41.397
flat angles P-C4'-P energy: -38.905
tors. eta vs tors. theta energy: -56.533
Dist. restrs. and SS energy: 8.684 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -1214.528145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.528145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.381322 (E_RNA)
where:
Base-Base interactions energy: -861.533
where: short stacking energy: -343.417
Base-Backbone interact. energy: -1.080
local terms energy: -354.767836
where:
bonds (distance) C4'-P energy: -66.345
bonds (distance) P-C4' energy: -71.846
flat angles C4'-P-C4' energy: -78.045
flat angles P-C4'-P energy: -48.153
tors. eta vs tors. theta energy: -90.378
Dist. restrs. and SS energy: 2.853 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -1188.613720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.613720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.265026 (E_RNA)
where:
Base-Base interactions energy: -841.879
where: short stacking energy: -327.881
Base-Backbone interact. energy: -0.973
local terms energy: -349.413034
where:
bonds (distance) C4'-P energy: -69.896
bonds (distance) P-C4' energy: -67.651
flat angles C4'-P-C4' energy: -66.133
flat angles P-C4'-P energy: -53.995
tors. eta vs tors. theta energy: -91.738
Dist. restrs. and SS energy: 3.651 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -1118.605180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.605180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.435754 (E_RNA)
where:
Base-Base interactions energy: -788.561
where: short stacking energy: -309.171
Base-Backbone interact. energy: -0.975
local terms energy: -332.899149
where:
bonds (distance) C4'-P energy: -58.025
bonds (distance) P-C4' energy: -68.902
flat angles C4'-P-C4' energy: -61.530
flat angles P-C4'-P energy: -56.737
tors. eta vs tors. theta energy: -87.705
Dist. restrs. and SS energy: 3.831 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -1040.486518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.486518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.961253 (E_RNA)
where:
Base-Base interactions energy: -732.502
where: short stacking energy: -296.836
Base-Backbone interact. energy: 0.011
local terms energy: -311.470574
where:
bonds (distance) C4'-P energy: -63.273
bonds (distance) P-C4' energy: -59.395
flat angles C4'-P-C4' energy: -66.930
flat angles P-C4'-P energy: -47.070
tors. eta vs tors. theta energy: -74.803
Dist. restrs. and SS energy: 3.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -1034.190209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.190209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.454416 (E_RNA)
where:
Base-Base interactions energy: -726.460
where: short stacking energy: -311.922
Base-Backbone interact. energy: -0.850
local terms energy: -311.143618
where:
bonds (distance) C4'-P energy: -62.642
bonds (distance) P-C4' energy: -48.779
flat angles C4'-P-C4' energy: -72.355
flat angles P-C4'-P energy: -42.691
tors. eta vs tors. theta energy: -84.677
Dist. restrs. and SS energy: 4.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -1016.053815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.053815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.607713 (E_RNA)
where:
Base-Base interactions energy: -695.489
where: short stacking energy: -300.372
Base-Backbone interact. energy: 3.404
local terms energy: -328.522240
where:
bonds (distance) C4'-P energy: -65.998
bonds (distance) P-C4' energy: -56.672
flat angles C4'-P-C4' energy: -67.616
flat angles P-C4'-P energy: -48.178
tors. eta vs tors. theta energy: -90.059
Dist. restrs. and SS energy: 4.554 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -941.112299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.112299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.422099 (E_RNA)
where:
Base-Base interactions energy: -673.207
where: short stacking energy: -263.381
Base-Backbone interact. energy: 0.134
local terms energy: -275.349019
where:
bonds (distance) C4'-P energy: -59.194
bonds (distance) P-C4' energy: -66.314
flat angles C4'-P-C4' energy: -56.040
flat angles P-C4'-P energy: -36.332
tors. eta vs tors. theta energy: -57.469
Dist. restrs. and SS energy: 7.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -905.606470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.606470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.978764 (E_RNA)
where:
Base-Base interactions energy: -653.925
where: short stacking energy: -266.554
Base-Backbone interact. energy: -4.013
local terms energy: -252.040119
where:
bonds (distance) C4'-P energy: -44.726
bonds (distance) P-C4' energy: -65.395
flat angles C4'-P-C4' energy: -53.165
flat angles P-C4'-P energy: -32.578
tors. eta vs tors. theta energy: -56.177
Dist. restrs. and SS energy: 4.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -879.198794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.198794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.383791 (E_RNA)
where:
Base-Base interactions energy: -636.783
where: short stacking energy: -242.309
Base-Backbone interact. energy: -2.800
local terms energy: -247.801180
where:
bonds (distance) C4'-P energy: -47.331
bonds (distance) P-C4' energy: -43.249
flat angles C4'-P-C4' energy: -64.339
flat angles P-C4'-P energy: -35.970
tors. eta vs tors. theta energy: -56.911
Dist. restrs. and SS energy: 8.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -821.835074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.835074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.300487 (E_RNA)
where:
Base-Base interactions energy: -581.976
where: short stacking energy: -236.682
Base-Backbone interact. energy: 0.947
local terms energy: -252.271166
where:
bonds (distance) C4'-P energy: -48.691
bonds (distance) P-C4' energy: -64.821
flat angles C4'-P-C4' energy: -53.414
flat angles P-C4'-P energy: -27.156
tors. eta vs tors. theta energy: -58.190
Dist. restrs. and SS energy: 11.465 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -1207.714046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.714046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.702772 (E_RNA)
where:
Base-Base interactions energy: -845.645
where: short stacking energy: -344.962
Base-Backbone interact. energy: -1.393
local terms energy: -363.664854
where:
bonds (distance) C4'-P energy: -67.910
bonds (distance) P-C4' energy: -66.846
flat angles C4'-P-C4' energy: -75.462
flat angles P-C4'-P energy: -53.535
tors. eta vs tors. theta energy: -99.913
Dist. restrs. and SS energy: 2.989 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -1151.912200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.912200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.747371 (E_RNA)
where:
Base-Base interactions energy: -796.745
where: short stacking energy: -315.661
Base-Backbone interact. energy: -3.184
local terms energy: -355.818703
where:
bonds (distance) C4'-P energy: -64.355
bonds (distance) P-C4' energy: -80.128
flat angles C4'-P-C4' energy: -63.659
flat angles P-C4'-P energy: -61.355
tors. eta vs tors. theta energy: -86.322
Dist. restrs. and SS energy: 3.835 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -1163.553362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.553362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.524777 (E_RNA)
where:
Base-Base interactions energy: -815.317
where: short stacking energy: -343.274
Base-Backbone interact. energy: -2.559
local terms energy: -348.649064
where:
bonds (distance) C4'-P energy: -61.104
bonds (distance) P-C4' energy: -62.344
flat angles C4'-P-C4' energy: -70.401
flat angles P-C4'-P energy: -58.256
tors. eta vs tors. theta energy: -96.544
Dist. restrs. and SS energy: 2.971 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -1049.407125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.407125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.280641 (E_RNA)
where:
Base-Base interactions energy: -738.380
where: short stacking energy: -298.279
Base-Backbone interact. energy: 2.273
local terms energy: -317.173973
where:
bonds (distance) C4'-P energy: -69.382
bonds (distance) P-C4' energy: -58.993
flat angles C4'-P-C4' energy: -63.842
flat angles P-C4'-P energy: -43.019
tors. eta vs tors. theta energy: -81.938
Dist. restrs. and SS energy: 3.874 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -1028.101508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.101508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.552445 (E_RNA)
where:
Base-Base interactions energy: -704.548
where: short stacking energy: -288.303
Base-Backbone interact. energy: -1.608
local terms energy: -325.396444
where:
bonds (distance) C4'-P energy: -61.045
bonds (distance) P-C4' energy: -71.198
flat angles C4'-P-C4' energy: -64.230
flat angles P-C4'-P energy: -43.164
tors. eta vs tors. theta energy: -85.759
Dist. restrs. and SS energy: 3.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -1002.378835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.378835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.362888 (E_RNA)
where:
Base-Base interactions energy: -710.882
where: short stacking energy: -293.441
Base-Backbone interact. energy: -1.465
local terms energy: -294.015427
where:
bonds (distance) C4'-P energy: -47.345
bonds (distance) P-C4' energy: -59.403
flat angles C4'-P-C4' energy: -69.286
flat angles P-C4'-P energy: -46.245
tors. eta vs tors. theta energy: -71.736
Dist. restrs. and SS energy: 3.984 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -943.737286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.737286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.961714 (E_RNA)
where:
Base-Base interactions energy: -667.180
where: short stacking energy: -252.341
Base-Backbone interact. energy: -2.505
local terms energy: -277.276946
where:
bonds (distance) C4'-P energy: -60.042
bonds (distance) P-C4' energy: -48.866
flat angles C4'-P-C4' energy: -63.682
flat angles P-C4'-P energy: -42.366
tors. eta vs tors. theta energy: -62.322
Dist. restrs. and SS energy: 3.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -918.357703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.357703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.127238 (E_RNA)
where:
Base-Base interactions energy: -641.413
where: short stacking energy: -249.355
Base-Backbone interact. energy: -1.202
local terms energy: -279.511951
where:
bonds (distance) C4'-P energy: -50.707
bonds (distance) P-C4' energy: -59.417
flat angles C4'-P-C4' energy: -60.786
flat angles P-C4'-P energy: -47.359
tors. eta vs tors. theta energy: -61.243
Dist. restrs. and SS energy: 3.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -898.571507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.571507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.184487 (E_RNA)
where:
Base-Base interactions energy: -634.260
where: short stacking energy: -243.540
Base-Backbone interact. energy: -1.341
local terms energy: -267.583555
where:
bonds (distance) C4'-P energy: -56.095
bonds (distance) P-C4' energy: -48.305
flat angles C4'-P-C4' energy: -59.957
flat angles P-C4'-P energy: -35.690
tors. eta vs tors. theta energy: -67.536
Dist. restrs. and SS energy: 4.613 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -848.038962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.038962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.931042 (E_RNA)
where:
Base-Base interactions energy: -595.826
where: short stacking energy: -221.093
Base-Backbone interact. energy: -2.452
local terms energy: -259.652082
where:
bonds (distance) C4'-P energy: -54.145
bonds (distance) P-C4' energy: -61.145
flat angles C4'-P-C4' energy: -65.996
flat angles P-C4'-P energy: -23.802
tors. eta vs tors. theta energy: -54.564
Dist. restrs. and SS energy: 9.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -1222.887375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.887375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.369697 (E_RNA)
where:
Base-Base interactions energy: -835.396
where: short stacking energy: -347.896
Base-Backbone interact. energy: -1.483
local terms energy: -389.490436
where:
bonds (distance) C4'-P energy: -73.917
bonds (distance) P-C4' energy: -73.514
flat angles C4'-P-C4' energy: -83.564
flat angles P-C4'-P energy: -52.382
tors. eta vs tors. theta energy: -106.113
Dist. restrs. and SS energy: 3.482 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -1207.764031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.764031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.404761 (E_RNA)
where:
Base-Base interactions energy: -848.842
where: short stacking energy: -355.401
Base-Backbone interact. energy: 4.125
local terms energy: -366.687674
where:
bonds (distance) C4'-P energy: -66.332
bonds (distance) P-C4' energy: -68.872
flat angles C4'-P-C4' energy: -75.454
flat angles P-C4'-P energy: -49.694
tors. eta vs tors. theta energy: -106.335
Dist. restrs. and SS energy: 3.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -1184.352993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.352993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.863638 (E_RNA)
where:
Base-Base interactions energy: -837.069
where: short stacking energy: -330.480
Base-Backbone interact. energy: -1.146
local terms energy: -348.648621
where:
bonds (distance) C4'-P energy: -63.388
bonds (distance) P-C4' energy: -72.797
flat angles C4'-P-C4' energy: -76.168
flat angles P-C4'-P energy: -43.591
tors. eta vs tors. theta energy: -92.704
Dist. restrs. and SS energy: 2.511 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -1046.851627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.851627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.643672 (E_RNA)
where:
Base-Base interactions energy: -732.063
where: short stacking energy: -295.972
Base-Backbone interact. energy: -1.952
local terms energy: -316.628615
where:
bonds (distance) C4'-P energy: -63.353
bonds (distance) P-C4' energy: -66.934
flat angles C4'-P-C4' energy: -57.887
flat angles P-C4'-P energy: -47.841
tors. eta vs tors. theta energy: -80.614
Dist. restrs. and SS energy: 3.792 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -1036.094709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.094709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.506727 (E_RNA)
where:
Base-Base interactions energy: -734.466
where: short stacking energy: -297.658
Base-Backbone interact. energy: -1.655
local terms energy: -309.385479
where:
bonds (distance) C4'-P energy: -48.952
bonds (distance) P-C4' energy: -62.613
flat angles C4'-P-C4' energy: -65.936
flat angles P-C4'-P energy: -55.704
tors. eta vs tors. theta energy: -76.181
Dist. restrs. and SS energy: 9.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -987.707681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.707681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.864422 (E_RNA)
where:
Base-Base interactions energy: -679.049
where: short stacking energy: -267.168
Base-Backbone interact. energy: -1.070
local terms energy: -311.745537
where:
bonds (distance) C4'-P energy: -53.690
bonds (distance) P-C4' energy: -66.285
flat angles C4'-P-C4' energy: -73.178
flat angles P-C4'-P energy: -44.341
tors. eta vs tors. theta energy: -74.251
Dist. restrs. and SS energy: 4.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -943.917937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.917937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.220643 (E_RNA)
where:
Base-Base interactions energy: -654.750
where: short stacking energy: -265.224
Base-Backbone interact. energy: -2.619
local terms energy: -289.851060
where:
bonds (distance) C4'-P energy: -44.054
bonds (distance) P-C4' energy: -64.600
flat angles C4'-P-C4' energy: -69.613
flat angles P-C4'-P energy: -41.883
tors. eta vs tors. theta energy: -69.701
Dist. restrs. and SS energy: 3.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -912.536142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.536142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.408674 (E_RNA)
where:
Base-Base interactions energy: -645.252
where: short stacking energy: -250.746
Base-Backbone interact. energy: -1.921
local terms energy: -271.235386
where:
bonds (distance) C4'-P energy: -51.185
bonds (distance) P-C4' energy: -50.177
flat angles C4'-P-C4' energy: -72.098
flat angles P-C4'-P energy: -39.130
tors. eta vs tors. theta energy: -58.645
Dist. restrs. and SS energy: 5.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -867.136297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.136297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.282678 (E_RNA)
where:
Base-Base interactions energy: -616.424
where: short stacking energy: -248.425
Base-Backbone interact. energy: -2.482
local terms energy: -253.376990
where:
bonds (distance) C4'-P energy: -39.112
bonds (distance) P-C4' energy: -52.619
flat angles C4'-P-C4' energy: -55.167
flat angles P-C4'-P energy: -45.546
tors. eta vs tors. theta energy: -60.933
Dist. restrs. and SS energy: 5.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -868.981622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.981622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.151690 (E_RNA)
where:
Base-Base interactions energy: -606.651
where: short stacking energy: -224.054
Base-Backbone interact. energy: -2.451
local terms energy: -265.049880
where:
bonds (distance) C4'-P energy: -55.939
bonds (distance) P-C4' energy: -60.057
flat angles C4'-P-C4' energy: -59.168
flat angles P-C4'-P energy: -41.573
tors. eta vs tors. theta energy: -48.313
Dist. restrs. and SS energy: 5.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -1209.645502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.645502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.270149 (E_RNA)
where:
Base-Base interactions energy: -836.266
where: short stacking energy: -349.807
Base-Backbone interact. energy: 1.646
local terms energy: -378.649701
where:
bonds (distance) C4'-P energy: -64.647
bonds (distance) P-C4' energy: -66.401
flat angles C4'-P-C4' energy: -85.008
flat angles P-C4'-P energy: -55.051
tors. eta vs tors. theta energy: -107.542
Dist. restrs. and SS energy: 3.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -1209.428683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.428683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.827376 (E_RNA)
where:
Base-Base interactions energy: -851.070
where: short stacking energy: -346.736
Base-Backbone interact. energy: -2.488
local terms energy: -359.269055
where:
bonds (distance) C4'-P energy: -67.165
bonds (distance) P-C4' energy: -63.014
flat angles C4'-P-C4' energy: -75.090
flat angles P-C4'-P energy: -46.037
tors. eta vs tors. theta energy: -107.963
Dist. restrs. and SS energy: 3.399 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -1156.410455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.410455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.048350 (E_RNA)
where:
Base-Base interactions energy: -819.341
where: short stacking energy: -309.515
Base-Backbone interact. energy: -1.330
local terms energy: -338.378328
where:
bonds (distance) C4'-P energy: -67.180
bonds (distance) P-C4' energy: -70.395
flat angles C4'-P-C4' energy: -65.518
flat angles P-C4'-P energy: -51.577
tors. eta vs tors. theta energy: -83.709
Dist. restrs. and SS energy: 2.638 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -1060.975876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.975876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.701076 (E_RNA)
where:
Base-Base interactions energy: -728.994
where: short stacking energy: -298.165
Base-Backbone interact. energy: -1.765
local terms energy: -334.941986
where:
bonds (distance) C4'-P energy: -64.620
bonds (distance) P-C4' energy: -68.344
flat angles C4'-P-C4' energy: -74.685
flat angles P-C4'-P energy: -47.733
tors. eta vs tors. theta energy: -79.560
Dist. restrs. and SS energy: 4.725 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -1059.287695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.287695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.543676 (E_RNA)
where:
Base-Base interactions energy: -719.026
where: short stacking energy: -302.643
Base-Backbone interact. energy: -1.459
local terms energy: -343.058147
where:
bonds (distance) C4'-P energy: -58.828
bonds (distance) P-C4' energy: -64.417
flat angles C4'-P-C4' energy: -76.556
flat angles P-C4'-P energy: -55.312
tors. eta vs tors. theta energy: -87.946
Dist. restrs. and SS energy: 4.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -986.733847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.733847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.064583 (E_RNA)
where:
Base-Base interactions energy: -684.187
where: short stacking energy: -277.975
Base-Backbone interact. energy: -1.050
local terms energy: -304.827983
where:
bonds (distance) C4'-P energy: -49.387
bonds (distance) P-C4' energy: -66.321
flat angles C4'-P-C4' energy: -66.801
flat angles P-C4'-P energy: -46.483
tors. eta vs tors. theta energy: -75.836
Dist. restrs. and SS energy: 3.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -933.866998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.866998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.190737 (E_RNA)
where:
Base-Base interactions energy: -663.036
where: short stacking energy: -264.643
Base-Backbone interact. energy: -0.858
local terms energy: -277.297323
where:
bonds (distance) C4'-P energy: -57.968
bonds (distance) P-C4' energy: -50.060
flat angles C4'-P-C4' energy: -58.737
flat angles P-C4'-P energy: -52.416
tors. eta vs tors. theta energy: -58.116
Dist. restrs. and SS energy: 7.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -889.072380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.072380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.248806 (E_RNA)
where:
Base-Base interactions energy: -626.631
where: short stacking energy: -250.318
Base-Backbone interact. energy: -1.502
local terms energy: -268.115538
where:
bonds (distance) C4'-P energy: -54.913
bonds (distance) P-C4' energy: -50.847
flat angles C4'-P-C4' energy: -65.761
flat angles P-C4'-P energy: -37.977
tors. eta vs tors. theta energy: -58.618
Dist. restrs. and SS energy: 7.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -856.760694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.760694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.583638 (E_RNA)
where:
Base-Base interactions energy: -603.935
where: short stacking energy: -235.385
Base-Backbone interact. energy: -1.533
local terms energy: -258.115555
where:
bonds (distance) C4'-P energy: -52.768
bonds (distance) P-C4' energy: -59.389
flat angles C4'-P-C4' energy: -67.644
flat angles P-C4'-P energy: -27.690
tors. eta vs tors. theta energy: -50.624
Dist. restrs. and SS energy: 6.823 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -852.896586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.896586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.106062 (E_RNA)
where:
Base-Base interactions energy: -609.012
where: short stacking energy: -230.237
Base-Backbone interact. energy: 0.364
local terms energy: -249.458029
where:
bonds (distance) C4'-P energy: -50.545
bonds (distance) P-C4' energy: -54.950
flat angles C4'-P-C4' energy: -56.207
flat angles P-C4'-P energy: -37.452
tors. eta vs tors. theta energy: -50.304
Dist. restrs. and SS energy: 5.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -1214.215709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.215709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.621658 (E_RNA)
where:
Base-Base interactions energy: -840.692
where: short stacking energy: -349.348
Base-Backbone interact. energy: -2.427
local terms energy: -374.502250
where:
bonds (distance) C4'-P energy: -70.722
bonds (distance) P-C4' energy: -65.769
flat angles C4'-P-C4' energy: -83.356
flat angles P-C4'-P energy: -54.852
tors. eta vs tors. theta energy: -99.803
Dist. restrs. and SS energy: 3.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -1197.197451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.197451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.862701 (E_RNA)
where:
Base-Base interactions energy: -843.531
where: short stacking energy: -315.461
Base-Backbone interact. energy: -1.093
local terms energy: -356.238754
where:
bonds (distance) C4'-P energy: -65.875
bonds (distance) P-C4' energy: -69.281
flat angles C4'-P-C4' energy: -77.246
flat angles P-C4'-P energy: -47.951
tors. eta vs tors. theta energy: -95.886
Dist. restrs. and SS energy: 3.665 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -1161.860546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.860546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.413994 (E_RNA)
where:
Base-Base interactions energy: -836.508
where: short stacking energy: -329.910
Base-Backbone interact. energy: 0.521
local terms energy: -328.426415
where:
bonds (distance) C4'-P energy: -57.235
bonds (distance) P-C4' energy: -53.511
flat angles C4'-P-C4' energy: -77.276
flat angles P-C4'-P energy: -48.233
tors. eta vs tors. theta energy: -92.172
Dist. restrs. and SS energy: 2.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -1069.398164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.398164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.720083 (E_RNA)
where:
Base-Base interactions energy: -736.439
where: short stacking energy: -301.176
Base-Backbone interact. energy: -0.149
local terms energy: -336.131627
where:
bonds (distance) C4'-P energy: -64.311
bonds (distance) P-C4' energy: -70.044
flat angles C4'-P-C4' energy: -74.404
flat angles P-C4'-P energy: -45.949
tors. eta vs tors. theta energy: -81.423
Dist. restrs. and SS energy: 3.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -1059.254015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.254015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.782662 (E_RNA)
where:
Base-Base interactions energy: -733.999
where: short stacking energy: -319.084
Base-Backbone interact. energy: -2.998
local terms energy: -326.785214
where:
bonds (distance) C4'-P energy: -67.905
bonds (distance) P-C4' energy: -55.110
flat angles C4'-P-C4' energy: -61.638
flat angles P-C4'-P energy: -47.462
tors. eta vs tors. theta energy: -94.670
Dist. restrs. and SS energy: 4.529 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -959.935771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.935771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.186199 (E_RNA)
where:
Base-Base interactions energy: -684.266
where: short stacking energy: -276.903
Base-Backbone interact. energy: -1.368
local terms energy: -278.552466
where:
bonds (distance) C4'-P energy: -48.287
bonds (distance) P-C4' energy: -52.393
flat angles C4'-P-C4' energy: -71.028
flat angles P-C4'-P energy: -43.766
tors. eta vs tors. theta energy: -63.079
Dist. restrs. and SS energy: 4.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -967.622449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.622449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.072665 (E_RNA)
where:
Base-Base interactions energy: -676.907
where: short stacking energy: -286.631
Base-Backbone interact. energy: 1.087
local terms energy: -296.252988
where:
bonds (distance) C4'-P energy: -67.910
bonds (distance) P-C4' energy: -43.074
flat angles C4'-P-C4' energy: -66.462
flat angles P-C4'-P energy: -53.394
tors. eta vs tors. theta energy: -65.413
Dist. restrs. and SS energy: 4.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -906.738598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.738598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.222052 (E_RNA)
where:
Base-Base interactions energy: -659.218
where: short stacking energy: -255.348
Base-Backbone interact. energy: 2.946
local terms energy: -254.950243
where:
bonds (distance) C4'-P energy: -44.982
bonds (distance) P-C4' energy: -56.261
flat angles C4'-P-C4' energy: -46.448
flat angles P-C4'-P energy: -42.818
tors. eta vs tors. theta energy: -64.441
Dist. restrs. and SS energy: 4.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -873.518623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.518623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.748066 (E_RNA)
where:
Base-Base interactions energy: -606.217
where: short stacking energy: -228.710
Base-Backbone interact. energy: 0.307
local terms energy: -272.837690
where:
bonds (distance) C4'-P energy: -59.487
bonds (distance) P-C4' energy: -56.474
flat angles C4'-P-C4' energy: -57.609
flat angles P-C4'-P energy: -34.726
tors. eta vs tors. theta energy: -64.542
Dist. restrs. and SS energy: 5.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -808.765991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.765991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.962784 (E_RNA)
where:
Base-Base interactions energy: -580.720
where: short stacking energy: -229.549
Base-Backbone interact. energy: -0.520
local terms energy: -233.722853
where:
bonds (distance) C4'-P energy: -49.585
bonds (distance) P-C4' energy: -45.206
flat angles C4'-P-C4' energy: -58.515
flat angles P-C4'-P energy: -27.471
tors. eta vs tors. theta energy: -52.946
Dist. restrs. and SS energy: 6.197 (S_DIST_RNA)
chem. 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: -1215.658112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.658112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.138957 (E_RNA)
where:
Base-Base interactions energy: -863.552
where: short stacking energy: -351.895
Base-Backbone interact. energy: -2.175
local terms energy: -353.411648
where:
bonds (distance) C4'-P energy: -67.386
bonds (distance) P-C4' energy: -67.983
flat angles C4'-P-C4' energy: -73.864
flat angles P-C4'-P energy: -46.334
tors. eta vs tors. theta energy: -97.844
Dist. restrs. and SS energy: 3.481 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -1192.923699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.923699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.254243 (E_RNA)
where:
Base-Base interactions energy: -839.566
where: short stacking energy: -345.573
Base-Backbone interact. energy: -1.928
local terms energy: -354.760000
where:
bonds (distance) C4'-P energy: -69.053
bonds (distance) P-C4' energy: -72.017
flat angles C4'-P-C4' energy: -74.320
flat angles P-C4'-P energy: -42.964
tors. eta vs tors. theta energy: -96.405
Dist. restrs. and SS energy: 3.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -1150.233277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.233277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.453878 (E_RNA)
where:
Base-Base interactions energy: -821.419
where: short stacking energy: -313.505
Base-Backbone interact. energy: 0.502
local terms energy: -332.537198
where:
bonds (distance) C4'-P energy: -62.481
bonds (distance) P-C4' energy: -61.835
flat angles C4'-P-C4' energy: -72.760
flat angles P-C4'-P energy: -46.071
tors. eta vs tors. theta energy: -89.391
Dist. restrs. and SS energy: 3.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -1092.945520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.945520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.813982 (E_RNA)
where:
Base-Base interactions energy: -753.733
where: short stacking energy: -309.865
Base-Backbone interact. energy: 1.240
local terms energy: -344.320616
where:
bonds (distance) C4'-P energy: -56.187
bonds (distance) P-C4' energy: -75.588
flat angles C4'-P-C4' energy: -72.965
flat angles P-C4'-P energy: -49.480
tors. eta vs tors. theta energy: -90.100
Dist. restrs. and SS energy: 3.868 (S_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: 229
Temperature: 1.100000
Total energy: -1051.049436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.049436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.282151 (E_RNA)
where:
Base-Base interactions energy: -735.634
where: short stacking energy: -285.671
Base-Backbone interact. energy: -2.587
local terms energy: -321.060891
where:
bonds (distance) C4'-P energy: -60.033
bonds (distance) P-C4' energy: -67.651
flat angles C4'-P-C4' energy: -68.717
flat angles P-C4'-P energy: -44.444
tors. eta vs tors. theta energy: -80.216
Dist. restrs. and SS energy: 8.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -1028.834701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.834701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.050583 (E_RNA)
where:
Base-Base interactions energy: -723.636
where: short stacking energy: -300.233
Base-Backbone interact. energy: -0.525
local terms energy: -307.890396
where:
bonds (distance) C4'-P energy: -60.713
bonds (distance) P-C4' energy: -59.227
flat angles C4'-P-C4' energy: -66.551
flat angles P-C4'-P energy: -46.378
tors. eta vs tors. theta energy: -75.021
Dist. restrs. and SS energy: 3.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -978.775750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.775750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.483401 (E_RNA)
where:
Base-Base interactions energy: -682.293
where: short stacking energy: -275.655
Base-Backbone interact. energy: -1.893
local terms energy: -298.297390
where:
bonds (distance) C4'-P energy: -53.769
bonds (distance) P-C4' energy: -69.632
flat angles C4'-P-C4' energy: -59.456
flat angles P-C4'-P energy: -43.010
tors. eta vs tors. theta energy: -72.429
Dist. restrs. and SS energy: 3.708 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -913.919745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.919745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.937655 (E_RNA)
where:
Base-Base interactions energy: -638.633
where: short stacking energy: -256.208
Base-Backbone interact. energy: -0.639
local terms energy: -279.665649
where:
bonds (distance) C4'-P energy: -64.827
bonds (distance) P-C4' energy: -56.683
flat angles C4'-P-C4' energy: -54.891
flat angles P-C4'-P energy: -41.045
tors. eta vs tors. theta energy: -62.220
Dist. restrs. and SS energy: 5.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -862.857768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.857768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.112648 (E_RNA)
where:
Base-Base interactions energy: -621.311
where: short stacking energy: -236.614
Base-Backbone interact. energy: -1.337
local terms energy: -251.464925
where:
bonds (distance) C4'-P energy: -41.048
bonds (distance) P-C4' energy: -47.151
flat angles C4'-P-C4' energy: -63.173
flat angles P-C4'-P energy: -39.406
tors. eta vs tors. theta energy: -60.687
Dist. restrs. and SS energy: 11.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -808.728852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.728852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.213695 (E_RNA)
where:
Base-Base interactions energy: -576.435
where: short stacking energy: -228.372
Base-Backbone interact. energy: -1.099
local terms energy: -241.679751
where:
bonds (distance) C4'-P energy: -50.786
bonds (distance) P-C4' energy: -47.221
flat angles C4'-P-C4' energy: -54.901
flat angles P-C4'-P energy: -47.310
tors. eta vs tors. theta energy: -41.462
Dist. restrs. and SS energy: 10.485 (S_DIST_RNA)
chem. 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: -1206.705612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.705612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.993508 (E_RNA)
where:
Base-Base interactions energy: -846.447
where: short stacking energy: -354.010
Base-Backbone interact. energy: -1.660
local terms energy: -361.885913
where:
bonds (distance) C4'-P energy: -67.637
bonds (distance) P-C4' energy: -63.627
flat angles C4'-P-C4' energy: -69.697
flat angles P-C4'-P energy: -50.148
tors. eta vs tors. theta energy: -110.776
Dist. restrs. and SS energy: 3.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -1203.071099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.071099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.737197 (E_RNA)
where:
Base-Base interactions energy: -835.916
where: short stacking energy: -349.861
Base-Backbone interact. energy: -2.128
local terms energy: -368.693079
where:
bonds (distance) C4'-P energy: -63.853
bonds (distance) P-C4' energy: -70.961
flat angles C4'-P-C4' energy: -80.335
flat angles P-C4'-P energy: -49.619
tors. eta vs tors. theta energy: -103.924
Dist. restrs. and SS energy: 3.666 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -1145.210730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.210730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.959566 (E_RNA)
where:
Base-Base interactions energy: -818.923
where: short stacking energy: -305.440
Base-Backbone interact. energy: 2.144
local terms energy: -331.180381
where:
bonds (distance) C4'-P energy: -68.386
bonds (distance) P-C4' energy: -70.010
flat angles C4'-P-C4' energy: -64.262
flat angles P-C4'-P energy: -41.627
tors. eta vs tors. theta energy: -86.895
Dist. restrs. and SS energy: 2.749 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -1094.410371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.410371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.689756 (E_RNA)
where:
Base-Base interactions energy: -757.607
where: short stacking energy: -317.084
Base-Backbone interact. energy: 0.011
local terms energy: -340.093773
where:
bonds (distance) C4'-P energy: -49.347
bonds (distance) P-C4' energy: -65.744
flat angles C4'-P-C4' energy: -79.107
flat angles P-C4'-P energy: -57.355
tors. eta vs tors. theta energy: -88.541
Dist. restrs. and SS energy: 3.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -1048.808121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.808121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.569637 (E_RNA)
where:
Base-Base interactions energy: -752.446
where: short stacking energy: -300.033
Base-Backbone interact. energy: 1.001
local terms energy: -302.124383
where:
bonds (distance) C4'-P energy: -53.932
bonds (distance) P-C4' energy: -51.114
flat angles C4'-P-C4' energy: -65.826
flat angles P-C4'-P energy: -47.083
tors. eta vs tors. theta energy: -84.170
Dist. restrs. and SS energy: 4.762 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -1004.346436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.346436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.213402 (E_RNA)
where:
Base-Base interactions energy: -712.253
where: short stacking energy: -267.421
Base-Backbone interact. energy: 1.617
local terms energy: -297.577248
where:
bonds (distance) C4'-P energy: -49.994
bonds (distance) P-C4' energy: -61.701
flat angles C4'-P-C4' energy: -61.492
flat angles P-C4'-P energy: -46.604
tors. eta vs tors. theta energy: -77.786
Dist. restrs. and SS energy: 3.867 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -1004.428243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.428243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.309005 (E_RNA)
where:
Base-Base interactions energy: -690.996
where: short stacking energy: -275.834
Base-Backbone interact. energy: -0.369
local terms energy: -316.943766
where:
bonds (distance) C4'-P energy: -63.345
bonds (distance) P-C4' energy: -71.629
flat angles C4'-P-C4' energy: -71.261
flat angles P-C4'-P energy: -44.477
tors. eta vs tors. theta energy: -66.231
Dist. restrs. and SS energy: 3.881 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -922.308403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.308403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.076769 (E_RNA)
where:
Base-Base interactions energy: -635.483
where: short stacking energy: -255.140
Base-Backbone interact. energy: 0.093
local terms energy: -292.686331
where:
bonds (distance) C4'-P energy: -71.865
bonds (distance) P-C4' energy: -52.859
flat angles C4'-P-C4' energy: -72.037
flat angles P-C4'-P energy: -38.080
tors. eta vs tors. theta energy: -57.847
Dist. restrs. and SS energy: 5.768 (S_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: 230
Temperature: 1.300000
Total energy: -839.077722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.077722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.128232 (E_RNA)
where:
Base-Base interactions energy: -586.237
where: short stacking energy: -217.112
Base-Backbone interact. energy: -0.778
local terms energy: -262.113869
where:
bonds (distance) C4'-P energy: -49.416
bonds (distance) P-C4' energy: -73.381
flat angles C4'-P-C4' energy: -65.734
flat angles P-C4'-P energy: -29.537
tors. eta vs tors. theta energy: -44.046
Dist. restrs. and SS energy: 10.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -819.567876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.567876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.730640 (E_RNA)
where:
Base-Base interactions energy: -582.587
where: short stacking energy: -226.364
Base-Backbone interact. energy: 1.011
local terms energy: -249.154258
where:
bonds (distance) C4'-P energy: -50.096
bonds (distance) P-C4' energy: -60.328
flat angles C4'-P-C4' energy: -54.153
flat angles P-C4'-P energy: -31.543
tors. eta vs tors. theta energy: -53.034
Dist. restrs. and SS energy: 11.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -1189.842830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.842830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.999261 (E_RNA)
where:
Base-Base interactions energy: -827.631
where: short stacking energy: -355.700
Base-Backbone interact. energy: -1.580
local terms energy: -364.788456
where:
bonds (distance) C4'-P energy: -79.001
bonds (distance) P-C4' energy: -54.146
flat angles C4'-P-C4' energy: -80.222
flat angles P-C4'-P energy: -45.065
tors. eta vs tors. theta energy: -106.354
Dist. restrs. and SS energy: 4.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -1208.530583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.530583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.574922 (E_RNA)
where:
Base-Base interactions energy: -840.527
where: short stacking energy: -346.459
Base-Backbone interact. energy: -0.191
local terms energy: -371.856812
where:
bonds (distance) C4'-P energy: -73.709
bonds (distance) P-C4' energy: -69.188
flat angles C4'-P-C4' energy: -74.607
flat angles P-C4'-P energy: -51.551
tors. eta vs tors. theta energy: -102.803
Dist. restrs. and SS energy: 4.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -1138.369155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.369155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.086290 (E_RNA)
where:
Base-Base interactions energy: -794.004
where: short stacking energy: -294.085
Base-Backbone interact. energy: -1.688
local terms energy: -345.393954
where:
bonds (distance) C4'-P energy: -69.508
bonds (distance) P-C4' energy: -64.240
flat angles C4'-P-C4' energy: -71.249
flat angles P-C4'-P energy: -51.593
tors. eta vs tors. theta energy: -88.803
Dist. restrs. and SS energy: 2.717 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -1116.162036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.162036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.192485 (E_RNA)
where:
Base-Base interactions energy: -786.130
where: short stacking energy: -336.528
Base-Backbone interact. energy: -2.469
local terms energy: -335.593627
where:
bonds (distance) C4'-P energy: -58.511
bonds (distance) P-C4' energy: -58.866
flat angles C4'-P-C4' energy: -72.268
flat angles P-C4'-P energy: -50.655
tors. eta vs tors. theta energy: -95.294
Dist. restrs. and SS energy: 8.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -1030.342455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.342455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.795294 (E_RNA)
where:
Base-Base interactions energy: -704.246
where: short stacking energy: -294.429
Base-Backbone interact. energy: -1.453
local terms energy: -328.096272
where:
bonds (distance) C4'-P energy: -62.388
bonds (distance) P-C4' energy: -50.622
flat angles C4'-P-C4' energy: -75.000
flat angles P-C4'-P energy: -56.127
tors. eta vs tors. theta energy: -83.959
Dist. restrs. and SS energy: 3.453 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -973.416197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.416197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.753573 (E_RNA)
where:
Base-Base interactions energy: -687.234
where: short stacking energy: -277.254
Base-Backbone interact. energy: -3.748
local terms energy: -285.771645
where:
bonds (distance) C4'-P energy: -56.639
bonds (distance) P-C4' energy: -62.951
flat angles C4'-P-C4' energy: -54.833
flat angles P-C4'-P energy: -44.250
tors. eta vs tors. theta energy: -67.099
Dist. restrs. and SS energy: 3.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -968.884773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.884773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.257082 (E_RNA)
where:
Base-Base interactions energy: -685.797
where: short stacking energy: -274.008
Base-Backbone interact. energy: 0.424
local terms energy: -287.884579
where:
bonds (distance) C4'-P energy: -55.511
bonds (distance) P-C4' energy: -59.139
flat angles C4'-P-C4' energy: -64.995
flat angles P-C4'-P energy: -38.973
tors. eta vs tors. theta energy: -69.266
Dist. restrs. and SS energy: 4.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -889.847197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.847197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.168472 (E_RNA)
where:
Base-Base interactions energy: -625.078
where: short stacking energy: -258.296
Base-Backbone interact. energy: -3.218
local terms energy: -270.872686
where:
bonds (distance) C4'-P energy: -50.730
bonds (distance) P-C4' energy: -55.823
flat angles C4'-P-C4' energy: -61.365
flat angles P-C4'-P energy: -45.212
tors. eta vs tors. theta energy: -57.743
Dist. restrs. and SS energy: 9.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -866.271074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.271074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.864985 (E_RNA)
where:
Base-Base interactions energy: -614.861
where: short stacking energy: -252.559
Base-Backbone interact. energy: 6.023
local terms energy: -268.027020
where:
bonds (distance) C4'-P energy: -46.203
bonds (distance) P-C4' energy: -62.344
flat angles C4'-P-C4' energy: -56.388
flat angles P-C4'-P energy: -39.118
tors. eta vs tors. theta energy: -63.975
Dist. restrs. and SS energy: 10.594 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -809.686399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.686399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.022655 (E_RNA)
where:
Base-Base interactions energy: -565.599
where: short stacking energy: -224.111
Base-Backbone interact. energy: 2.670
local terms energy: -257.093062
where:
bonds (distance) C4'-P energy: -49.936
bonds (distance) P-C4' energy: -58.288
flat angles C4'-P-C4' energy: -57.598
flat angles P-C4'-P energy: -39.326
tors. eta vs tors. theta energy: -51.945
Dist. restrs. and SS energy: 10.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -1228.923903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.923903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.311343 (E_RNA)
where:
Base-Base interactions energy: -843.306
where: short stacking energy: -357.172
Base-Backbone interact. energy: -3.519
local terms energy: -385.486369
where:
bonds (distance) C4'-P energy: -72.195
bonds (distance) P-C4' energy: -74.602
flat angles C4'-P-C4' energy: -77.039
flat angles P-C4'-P energy: -57.245
tors. eta vs tors. theta energy: -104.406
Dist. restrs. and SS energy: 3.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -1148.603084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.603084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.830244 (E_RNA)
where:
Base-Base interactions energy: -806.699
where: short stacking energy: -343.284
Base-Backbone interact. energy: -0.907
local terms energy: -344.223868
where:
bonds (distance) C4'-P energy: -52.798
bonds (distance) P-C4' energy: -67.539
flat angles C4'-P-C4' energy: -76.387
flat angles P-C4'-P energy: -53.523
tors. eta vs tors. theta energy: -93.976
Dist. restrs. and SS energy: 3.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -1131.759731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.759731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.090672 (E_RNA)
where:
Base-Base interactions energy: -787.472
where: short stacking energy: -314.848
Base-Backbone interact. energy: -4.482
local terms energy: -343.136316
where:
bonds (distance) C4'-P energy: -60.511
bonds (distance) P-C4' energy: -69.862
flat angles C4'-P-C4' energy: -73.377
flat angles P-C4'-P energy: -51.798
tors. eta vs tors. theta energy: -87.588
Dist. restrs. and SS energy: 3.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -1104.111473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.111473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.199947 (E_RNA)
where:
Base-Base interactions energy: -778.713
where: short stacking energy: -307.006
Base-Backbone interact. energy: -1.354
local terms energy: -327.132325
where:
bonds (distance) C4'-P energy: -58.838
bonds (distance) P-C4' energy: -54.196
flat angles C4'-P-C4' energy: -75.017
flat angles P-C4'-P energy: -44.832
tors. eta vs tors. theta energy: -94.250
Dist. restrs. and SS energy: 3.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -1020.905208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.905208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.885260 (E_RNA)
where:
Base-Base interactions energy: -707.515
where: short stacking energy: -284.709
Base-Backbone interact. energy: -0.307
local terms energy: -316.062721
where:
bonds (distance) C4'-P energy: -61.120
bonds (distance) P-C4' energy: -61.215
flat angles C4'-P-C4' energy: -64.949
flat angles P-C4'-P energy: -51.536
tors. eta vs tors. theta energy: -77.242
Dist. restrs. and SS energy: 2.980 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -989.016103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.016103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.787885 (E_RNA)
where:
Base-Base interactions energy: -688.753
where: short stacking energy: -276.171
Base-Backbone interact. energy: -2.827
local terms energy: -305.207741
where:
bonds (distance) C4'-P energy: -60.200
bonds (distance) P-C4' energy: -59.015
flat angles C4'-P-C4' energy: -65.193
flat angles P-C4'-P energy: -40.384
tors. eta vs tors. theta energy: -80.416
Dist. restrs. and SS energy: 7.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -978.681650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.681650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.448494 (E_RNA)
where:
Base-Base interactions energy: -700.730
where: short stacking energy: -274.594
Base-Backbone interact. energy: -1.690
local terms energy: -282.028919
where:
bonds (distance) C4'-P energy: -39.033
bonds (distance) P-C4' energy: -66.675
flat angles C4'-P-C4' energy: -63.164
flat angles P-C4'-P energy: -38.794
tors. eta vs tors. theta energy: -74.362
Dist. restrs. and SS energy: 5.767 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -884.486992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.486992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.207623 (E_RNA)
where:
Base-Base interactions energy: -631.922
where: short stacking energy: -251.496
Base-Backbone interact. energy: 3.783
local terms energy: -262.068010
where:
bonds (distance) C4'-P energy: -48.105
bonds (distance) P-C4' energy: -55.697
flat angles C4'-P-C4' energy: -61.635
flat angles P-C4'-P energy: -38.127
tors. eta vs tors. theta energy: -58.505
Dist. restrs. and SS energy: 5.721 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -877.922691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.922691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.458205 (E_RNA)
where:
Base-Base interactions energy: -615.506
where: short stacking energy: -231.829
Base-Backbone interact. energy: -1.037
local terms energy: -266.915679
where:
bonds (distance) C4'-P energy: -53.391
bonds (distance) P-C4' energy: -58.025
flat angles C4'-P-C4' energy: -66.965
flat angles P-C4'-P energy: -31.377
tors. eta vs tors. theta energy: -57.157
Dist. restrs. and SS energy: 5.536 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -804.167801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.167801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.478454 (E_RNA)
where:
Base-Base interactions energy: -572.885
where: short stacking energy: -224.370
Base-Backbone interact. energy: 0.892
local terms energy: -244.485204
where:
bonds (distance) C4'-P energy: -48.065
bonds (distance) P-C4' energy: -58.538
flat angles C4'-P-C4' energy: -53.299
flat angles P-C4'-P energy: -39.232
tors. eta vs tors. theta energy: -45.352
Dist. restrs. and SS energy: 12.311 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -1217.880354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.880354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.605740 (E_RNA)
where:
Base-Base interactions energy: -852.153
where: short stacking energy: -359.720
Base-Backbone interact. energy: -4.992
local terms energy: -366.461248
where:
bonds (distance) C4'-P energy: -69.903
bonds (distance) P-C4' energy: -63.349
flat angles C4'-P-C4' energy: -80.326
flat angles P-C4'-P energy: -42.904
tors. eta vs tors. theta energy: -109.979
Dist. restrs. and SS energy: 5.725 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -1173.321883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.321883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.021946 (E_RNA)
where:
Base-Base interactions energy: -810.151
where: short stacking energy: -330.219
Base-Backbone interact. energy: -1.780
local terms energy: -364.090511
where:
bonds (distance) C4'-P energy: -70.310
bonds (distance) P-C4' energy: -71.045
flat angles C4'-P-C4' energy: -75.077
flat angles P-C4'-P energy: -54.257
tors. eta vs tors. theta energy: -93.402
Dist. restrs. and SS energy: 2.700 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -1143.168435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.168435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.380184 (E_RNA)
where:
Base-Base interactions energy: -792.999
where: short stacking energy: -337.112
Base-Backbone interact. energy: -2.787
local terms energy: -350.594444
where:
bonds (distance) C4'-P energy: -67.220
bonds (distance) P-C4' energy: -59.624
flat angles C4'-P-C4' energy: -64.649
flat angles P-C4'-P energy: -57.809
tors. eta vs tors. theta energy: -101.293
Dist. restrs. and SS energy: 3.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -1139.413144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.413144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.228692 (E_RNA)
where:
Base-Base interactions energy: -802.815
where: short stacking energy: -345.944
Base-Backbone interact. energy: 1.767
local terms energy: -341.180823
where:
bonds (distance) C4'-P energy: -63.993
bonds (distance) P-C4' energy: -62.642
flat angles C4'-P-C4' energy: -61.364
flat angles P-C4'-P energy: -52.241
tors. eta vs tors. theta energy: -100.941
Dist. restrs. and SS energy: 2.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -1018.384336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.384336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.991465 (E_RNA)
where:
Base-Base interactions energy: -720.860
where: short stacking energy: -310.942
Base-Backbone interact. energy: -0.547
local terms energy: -300.584475
where:
bonds (distance) C4'-P energy: -48.222
bonds (distance) P-C4' energy: -60.080
flat angles C4'-P-C4' energy: -71.709
flat angles P-C4'-P energy: -42.386
tors. eta vs tors. theta energy: -78.188
Dist. restrs. and SS energy: 3.607 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -1017.781517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.781517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.182335 (E_RNA)
where:
Base-Base interactions energy: -709.231
where: short stacking energy: -288.152
Base-Backbone interact. energy: -2.040
local terms energy: -309.911408
where:
bonds (distance) C4'-P energy: -60.775
bonds (distance) P-C4' energy: -65.158
flat angles C4'-P-C4' energy: -70.501
flat angles P-C4'-P energy: -36.108
tors. eta vs tors. theta energy: -77.370
Dist. restrs. and SS energy: 3.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -996.881886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.881886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.450631 (E_RNA)
where:
Base-Base interactions energy: -716.043
where: short stacking energy: -262.457
Base-Backbone interact. energy: -1.851
local terms energy: -282.557315
where:
bonds (distance) C4'-P energy: -52.373
bonds (distance) P-C4' energy: -60.702
flat angles C4'-P-C4' energy: -62.687
flat angles P-C4'-P energy: -46.755
tors. eta vs tors. theta energy: -60.040
Dist. restrs. and SS energy: 3.569 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -890.541422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.541422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.974359 (E_RNA)
where:
Base-Base interactions energy: -627.888
where: short stacking energy: -248.367
Base-Backbone interact. energy: 3.307
local terms energy: -271.392571
where:
bonds (distance) C4'-P energy: -56.627
bonds (distance) P-C4' energy: -62.201
flat angles C4'-P-C4' energy: -63.891
flat angles P-C4'-P energy: -36.141
tors. eta vs tors. theta energy: -52.533
Dist. restrs. and SS energy: 5.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -909.136520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.136520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.087377 (E_RNA)
where:
Base-Base interactions energy: -651.173
where: short stacking energy: -242.117
Base-Backbone interact. energy: -1.108
local terms energy: -260.806359
where:
bonds (distance) C4'-P energy: -48.319
bonds (distance) P-C4' energy: -44.738
flat angles C4'-P-C4' energy: -63.347
flat angles P-C4'-P energy: -43.832
tors. eta vs tors. theta energy: -60.570
Dist. restrs. and SS energy: 3.951 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -810.786151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.786151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.119921 (E_RNA)
where:
Base-Base interactions energy: -567.614
where: short stacking energy: -209.744
Base-Backbone interact. energy: -0.675
local terms energy: -253.830395
where:
bonds (distance) C4'-P energy: -61.026
bonds (distance) P-C4' energy: -52.671
flat angles C4'-P-C4' energy: -54.669
flat angles P-C4'-P energy: -35.183
tors. eta vs tors. theta energy: -50.281
Dist. restrs. and SS energy: 11.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -1236.155992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.155992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.678133 (E_RNA)
where:
Base-Base interactions energy: -862.827
where: short stacking energy: -365.917
Base-Backbone interact. energy: -1.862
local terms energy: -374.989136
where:
bonds (distance) C4'-P energy: -65.818
bonds (distance) P-C4' energy: -73.104
flat angles C4'-P-C4' energy: -71.572
flat angles P-C4'-P energy: -54.432
tors. eta vs tors. theta energy: -110.065
Dist. restrs. and SS energy: 3.522 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -1148.677182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.677182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.802395 (E_RNA)
where:
Base-Base interactions energy: -803.222
where: short stacking energy: -325.138
Base-Backbone interact. energy: -2.249
local terms energy: -346.331166
where:
bonds (distance) C4'-P energy: -64.212
bonds (distance) P-C4' energy: -76.522
flat angles C4'-P-C4' energy: -67.482
flat angles P-C4'-P energy: -53.567
tors. eta vs tors. theta energy: -84.548
Dist. restrs. and SS energy: 3.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -1130.550525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.550525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.642450 (E_RNA)
where:
Base-Base interactions energy: -786.960
where: short stacking energy: -322.715
Base-Backbone interact. energy: -2.050
local terms energy: -344.633084
where:
bonds (distance) C4'-P energy: -59.327
bonds (distance) P-C4' energy: -72.545
flat angles C4'-P-C4' energy: -74.990
flat angles P-C4'-P energy: -51.834
tors. eta vs tors. theta energy: -85.937
Dist. restrs. and SS energy: 3.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -1129.600713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.600713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.208188 (E_RNA)
where:
Base-Base interactions energy: -783.940
where: short stacking energy: -321.263
Base-Backbone interact. energy: -1.871
local terms energy: -347.397732
where:
bonds (distance) C4'-P energy: -69.593
bonds (distance) P-C4' energy: -66.238
flat angles C4'-P-C4' energy: -68.871
flat angles P-C4'-P energy: -45.242
tors. eta vs tors. theta energy: -97.454
Dist. restrs. and SS energy: 3.607 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -1048.593950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.593950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.096509 (E_RNA)
where:
Base-Base interactions energy: -738.461
where: short stacking energy: -293.402
Base-Backbone interact. energy: -3.404
local terms energy: -312.231338
where:
bonds (distance) C4'-P energy: -54.929
bonds (distance) P-C4' energy: -63.376
flat angles C4'-P-C4' energy: -67.208
flat angles P-C4'-P energy: -46.170
tors. eta vs tors. theta energy: -80.548
Dist. restrs. and SS energy: 5.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -994.905365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.905365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.645824 (E_RNA)
where:
Base-Base interactions energy: -693.480
where: short stacking energy: -282.503
Base-Backbone interact. energy: -2.435
local terms energy: -302.730566
where:
bonds (distance) C4'-P energy: -60.399
bonds (distance) P-C4' energy: -58.225
flat angles C4'-P-C4' energy: -65.357
flat angles P-C4'-P energy: -44.494
tors. eta vs tors. theta energy: -74.256
Dist. restrs. and SS energy: 3.740 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -891.452634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.452634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.891756 (E_RNA)
where:
Base-Base interactions energy: -630.712
where: short stacking energy: -253.324
Base-Backbone interact. energy: 1.702
local terms energy: -266.881683
where:
bonds (distance) C4'-P energy: -51.873
bonds (distance) P-C4' energy: -67.309
flat angles C4'-P-C4' energy: -52.695
flat angles P-C4'-P energy: -42.821
tors. eta vs tors. theta energy: -52.184
Dist. restrs. and SS energy: 4.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -934.917017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.917017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.931311 (E_RNA)
where:
Base-Base interactions energy: -662.938
where: short stacking energy: -245.750
Base-Backbone interact. energy: -1.893
local terms energy: -275.100214
where:
bonds (distance) C4'-P energy: -58.529
bonds (distance) P-C4' energy: -52.003
flat angles C4'-P-C4' energy: -67.890
flat angles P-C4'-P energy: -37.115
tors. eta vs tors. theta energy: -59.564
Dist. restrs. and SS energy: 5.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -898.052748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.052748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.627943 (E_RNA)
where:
Base-Base interactions energy: -635.742
where: short stacking energy: -245.106
Base-Backbone interact. energy: 1.450
local terms energy: -268.336038
where:
bonds (distance) C4'-P energy: -45.239
bonds (distance) P-C4' energy: -65.458
flat angles C4'-P-C4' energy: -51.336
flat angles P-C4'-P energy: -40.607
tors. eta vs tors. theta energy: -65.697
Dist. restrs. and SS energy: 4.575 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -822.685133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.685133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.691971 (E_RNA)
where:
Base-Base interactions energy: -601.381
where: short stacking energy: -232.380
Base-Backbone interact. energy: -1.065
local terms energy: -227.245783
where:
bonds (distance) C4'-P energy: -40.955
bonds (distance) P-C4' energy: -44.897
flat angles C4'-P-C4' energy: -56.183
flat angles P-C4'-P energy: -33.699
tors. eta vs tors. theta energy: -51.511
Dist. restrs. and SS energy: 7.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -1228.924529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.924529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.552124 (E_RNA)
where:
Base-Base interactions energy: -869.374
where: short stacking energy: -374.737
Base-Backbone interact. energy: -2.913
local terms energy: -360.266044
where:
bonds (distance) C4'-P energy: -70.346
bonds (distance) P-C4' energy: -63.356
flat angles C4'-P-C4' energy: -74.441
flat angles P-C4'-P energy: -47.786
tors. eta vs tors. theta energy: -104.337
Dist. restrs. and SS energy: 3.628 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -1153.680213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.680213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.788133 (E_RNA)
where:
Base-Base interactions energy: -792.108
where: short stacking energy: -320.205
Base-Backbone interact. energy: -1.386
local terms energy: -363.293552
where:
bonds (distance) C4'-P energy: -63.857
bonds (distance) P-C4' energy: -75.703
flat angles C4'-P-C4' energy: -73.349
flat angles P-C4'-P energy: -52.947
tors. eta vs tors. theta energy: -97.437
Dist. restrs. and SS energy: 3.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -1143.265561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.265561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.076601 (E_RNA)
where:
Base-Base interactions energy: -805.214
where: short stacking energy: -322.027
Base-Backbone interact. energy: -1.956
local terms energy: -338.907113
where:
bonds (distance) C4'-P energy: -58.308
bonds (distance) P-C4' energy: -71.177
flat angles C4'-P-C4' energy: -77.138
flat angles P-C4'-P energy: -38.640
tors. eta vs tors. theta energy: -93.643
Dist. restrs. and SS energy: 2.811 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -1118.289122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.289122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.868879 (E_RNA)
where:
Base-Base interactions energy: -764.596
where: short stacking energy: -323.082
Base-Backbone interact. energy: -2.740
local terms energy: -354.532347
where:
bonds (distance) C4'-P energy: -64.070
bonds (distance) P-C4' energy: -71.989
flat angles C4'-P-C4' energy: -74.375
flat angles P-C4'-P energy: -52.900
tors. eta vs tors. theta energy: -91.198
Dist. restrs. and SS energy: 3.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -1039.165012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.165012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.980357 (E_RNA)
where:
Base-Base interactions energy: -725.016
where: short stacking energy: -296.794
Base-Backbone interact. energy: -1.323
local terms energy: -318.640568
where:
bonds (distance) C4'-P energy: -48.206
bonds (distance) P-C4' energy: -65.127
flat angles C4'-P-C4' energy: -67.352
flat angles P-C4'-P energy: -58.734
tors. eta vs tors. theta energy: -79.222
Dist. restrs. and SS energy: 5.815 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -1001.758839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.758839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.671737 (E_RNA)
where:
Base-Base interactions energy: -703.551
where: short stacking energy: -290.785
Base-Backbone interact. energy: -1.303
local terms energy: -300.817650
where:
bonds (distance) C4'-P energy: -51.336
bonds (distance) P-C4' energy: -62.116
flat angles C4'-P-C4' energy: -62.563
flat angles P-C4'-P energy: -49.864
tors. eta vs tors. theta energy: -74.939
Dist. restrs. and SS energy: 3.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -887.751119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.751119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.071792 (E_RNA)
where:
Base-Base interactions energy: -634.155
where: short stacking energy: -241.936
Base-Backbone interact. energy: 0.661
local terms energy: -262.577859
where:
bonds (distance) C4'-P energy: -54.398
bonds (distance) P-C4' energy: -58.127
flat angles C4'-P-C4' energy: -57.323
flat angles P-C4'-P energy: -40.682
tors. eta vs tors. theta energy: -52.047
Dist. restrs. and SS energy: 8.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -893.541519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.541519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.125030 (E_RNA)
where:
Base-Base interactions energy: -620.661
where: short stacking energy: -242.154
Base-Backbone interact. energy: -3.939
local terms energy: -273.525232
where:
bonds (distance) C4'-P energy: -61.001
bonds (distance) P-C4' energy: -63.754
flat angles C4'-P-C4' energy: -64.663
flat angles P-C4'-P energy: -27.589
tors. eta vs tors. theta energy: -56.518
Dist. restrs. and SS energy: 4.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -884.328069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.328069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.849928 (E_RNA)
where:
Base-Base interactions energy: -648.016
where: short stacking energy: -251.297
Base-Backbone interact. energy: -0.263
local terms energy: -241.570248
where:
bonds (distance) C4'-P energy: -47.189
bonds (distance) P-C4' energy: -50.511
flat angles C4'-P-C4' energy: -45.244
flat angles P-C4'-P energy: -47.975
tors. eta vs tors. theta energy: -50.652
Dist. restrs. and SS energy: 5.522 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -806.151476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.151476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.514815 (E_RNA)
where:
Base-Base interactions energy: -574.588
where: short stacking energy: -217.442
Base-Backbone interact. energy: 0.012
local terms energy: -237.939308
where:
bonds (distance) C4'-P energy: -48.641
bonds (distance) P-C4' energy: -61.376
flat angles C4'-P-C4' energy: -44.500
flat angles P-C4'-P energy: -32.291
tors. eta vs tors. theta energy: -51.130
Dist. restrs. and SS energy: 6.363 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -1176.894533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.894533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.354383 (E_RNA)
where:
Base-Base interactions energy: -823.578
where: short stacking energy: -333.699
Base-Backbone interact. energy: 1.928
local terms energy: -358.703888
where:
bonds (distance) C4'-P energy: -71.617
bonds (distance) P-C4' energy: -67.548
flat angles C4'-P-C4' energy: -72.239
flat angles P-C4'-P energy: -51.057
tors. eta vs tors. theta energy: -96.242
Dist. restrs. and SS energy: 3.460 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -1216.245013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.245013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.347690 (E_RNA)
where:
Base-Base interactions energy: -833.003
where: short stacking energy: -350.407
Base-Backbone interact. energy: -2.063
local terms energy: -384.282573
where:
bonds (distance) C4'-P energy: -70.462
bonds (distance) P-C4' energy: -72.108
flat angles C4'-P-C4' energy: -82.143
flat angles P-C4'-P energy: -55.069
tors. eta vs tors. theta energy: -104.501
Dist. restrs. and SS energy: 3.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -1124.228489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.228489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.276252 (E_RNA)
where:
Base-Base interactions energy: -782.419
where: short stacking energy: -333.691
Base-Backbone interact. energy: -0.576
local terms energy: -344.281195
where:
bonds (distance) C4'-P energy: -64.481
bonds (distance) P-C4' energy: -71.016
flat angles C4'-P-C4' energy: -73.413
flat angles P-C4'-P energy: -37.112
tors. eta vs tors. theta energy: -98.258
Dist. restrs. and SS energy: 3.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -1139.894186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.894186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.916467 (E_RNA)
where:
Base-Base interactions energy: -814.570
where: short stacking energy: -325.455
Base-Backbone interact. energy: 3.728
local terms energy: -332.074883
where:
bonds (distance) C4'-P energy: -59.877
bonds (distance) P-C4' energy: -63.724
flat angles C4'-P-C4' energy: -61.410
flat angles P-C4'-P energy: -51.574
tors. eta vs tors. theta energy: -95.490
Dist. restrs. and SS energy: 3.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -1048.713418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.713418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.932499 (E_RNA)
where:
Base-Base interactions energy: -716.611
where: short stacking energy: -300.569
Base-Backbone interact. energy: 1.564
local terms energy: -342.884974
where:
bonds (distance) C4'-P energy: -59.045
bonds (distance) P-C4' energy: -66.962
flat angles C4'-P-C4' energy: -76.999
flat angles P-C4'-P energy: -53.956
tors. eta vs tors. theta energy: -85.923
Dist. restrs. and SS energy: 9.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -990.457746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.457746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.113762 (E_RNA)
where:
Base-Base interactions energy: -710.727
where: short stacking energy: -285.818
Base-Backbone interact. energy: -0.884
local terms energy: -282.503106
where:
bonds (distance) C4'-P energy: -60.311
bonds (distance) P-C4' energy: -42.349
flat angles C4'-P-C4' energy: -65.499
flat angles P-C4'-P energy: -39.606
tors. eta vs tors. theta energy: -74.738
Dist. restrs. and SS energy: 3.656 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -915.264315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.264315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.015879 (E_RNA)
where:
Base-Base interactions energy: -653.157
where: short stacking energy: -252.938
Base-Backbone interact. energy: 2.198
local terms energy: -269.057108
where:
bonds (distance) C4'-P energy: -58.540
bonds (distance) P-C4' energy: -53.928
flat angles C4'-P-C4' energy: -56.823
flat angles P-C4'-P energy: -38.338
tors. eta vs tors. theta energy: -61.428
Dist. restrs. and SS energy: 4.752 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -892.310903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.310903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.950304 (E_RNA)
where:
Base-Base interactions energy: -626.760
where: short stacking energy: -240.852
Base-Backbone interact. energy: 0.246
local terms energy: -274.436702
where:
bonds (distance) C4'-P energy: -53.968
bonds (distance) P-C4' energy: -59.890
flat angles C4'-P-C4' energy: -70.808
flat angles P-C4'-P energy: -31.154
tors. eta vs tors. theta energy: -58.617
Dist. restrs. and SS energy: 8.639 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -907.951086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.951086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.389258 (E_RNA)
where:
Base-Base interactions energy: -632.602
where: short stacking energy: -256.117
Base-Backbone interact. energy: -1.553
local terms energy: -281.234536
where:
bonds (distance) C4'-P energy: -64.525
bonds (distance) P-C4' energy: -55.191
flat angles C4'-P-C4' energy: -65.877
flat angles P-C4'-P energy: -34.026
tors. eta vs tors. theta energy: -61.615
Dist. restrs. and SS energy: 7.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -808.065917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.065917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.918685 (E_RNA)
where:
Base-Base interactions energy: -573.374
where: short stacking energy: -224.968
Base-Backbone interact. energy: -2.092
local terms energy: -237.452427
where:
bonds (distance) C4'-P energy: -46.854
bonds (distance) P-C4' energy: -55.803
flat angles C4'-P-C4' energy: -55.882
flat angles P-C4'-P energy: -30.027
tors. eta vs tors. theta energy: -48.888
Dist. restrs. and SS energy: 4.853 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -1188.487226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.487226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.284796 (E_RNA)
where:
Base-Base interactions energy: -849.417
where: short stacking energy: -339.295
Base-Backbone interact. energy: -2.926
local terms energy: -338.941823
where:
bonds (distance) C4'-P energy: -69.645
bonds (distance) P-C4' energy: -64.042
flat angles C4'-P-C4' energy: -66.768
flat angles P-C4'-P energy: -49.143
tors. eta vs tors. theta energy: -89.344
Dist. restrs. and SS energy: 2.798 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -1204.806300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.806300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.611807 (E_RNA)
where:
Base-Base interactions energy: -851.465
where: short stacking energy: -361.406
Base-Backbone interact. energy: -0.244
local terms energy: -355.903047
where:
bonds (distance) C4'-P energy: -58.990
bonds (distance) P-C4' energy: -66.938
flat angles C4'-P-C4' energy: -72.739
flat angles P-C4'-P energy: -54.508
tors. eta vs tors. theta energy: -102.728
Dist. restrs. and SS energy: 2.806 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -1118.459167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.459167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.881181 (E_RNA)
where:
Base-Base interactions energy: -776.830
where: short stacking energy: -325.855
Base-Backbone interact. energy: -0.252
local terms energy: -344.798545
where:
bonds (distance) C4'-P energy: -68.282
bonds (distance) P-C4' energy: -61.488
flat angles C4'-P-C4' energy: -67.044
flat angles P-C4'-P energy: -54.645
tors. eta vs tors. theta energy: -93.340
Dist. restrs. and SS energy: 3.422 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -1110.518159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.518159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.710281 (E_RNA)
where:
Base-Base interactions energy: -797.159
where: short stacking energy: -300.471
Base-Backbone interact. energy: -0.875
local terms energy: -315.676175
where:
bonds (distance) C4'-P energy: -60.172
bonds (distance) P-C4' energy: -64.815
flat angles C4'-P-C4' energy: -63.955
flat angles P-C4'-P energy: -43.112
tors. eta vs tors. theta energy: -83.623
Dist. restrs. and SS energy: 3.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -1059.546413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.546413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.475113 (E_RNA)
where:
Base-Base interactions energy: -750.567
where: short stacking energy: -261.954
Base-Backbone interact. energy: -6.794
local terms energy: -306.113847
where:
bonds (distance) C4'-P energy: -66.121
bonds (distance) P-C4' energy: -55.660
flat angles C4'-P-C4' energy: -62.134
flat angles P-C4'-P energy: -45.185
tors. eta vs tors. theta energy: -77.015
Dist. restrs. and SS energy: 3.929 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -1003.861401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.861401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.075783 (E_RNA)
where:
Base-Base interactions energy: -712.677
where: short stacking energy: -292.035
Base-Backbone interact. energy: -1.426
local terms energy: -293.972213
where:
bonds (distance) C4'-P energy: -52.894
bonds (distance) P-C4' energy: -62.131
flat angles C4'-P-C4' energy: -67.113
flat angles P-C4'-P energy: -43.401
tors. eta vs tors. theta energy: -68.433
Dist. restrs. and SS energy: 4.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -903.174441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.174441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.366681 (E_RNA)
where:
Base-Base interactions energy: -641.794
where: short stacking energy: -258.808
Base-Backbone interact. energy: -1.977
local terms energy: -263.596284
where:
bonds (distance) C4'-P energy: -54.137
bonds (distance) P-C4' energy: -52.269
flat angles C4'-P-C4' energy: -63.708
flat angles P-C4'-P energy: -31.049
tors. eta vs tors. theta energy: -62.433
Dist. restrs. and SS energy: 4.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -926.814560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.814560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.821269 (E_RNA)
where:
Base-Base interactions energy: -647.674
where: short stacking energy: -248.819
Base-Backbone interact. energy: -2.625
local terms energy: -281.522768
where:
bonds (distance) C4'-P energy: -67.061
bonds (distance) P-C4' energy: -58.954
flat angles C4'-P-C4' energy: -60.697
flat angles P-C4'-P energy: -40.453
tors. eta vs tors. theta energy: -54.357
Dist. restrs. and SS energy: 5.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -867.087536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.087536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.324411 (E_RNA)
where:
Base-Base interactions energy: -622.601
where: short stacking energy: -249.886
Base-Backbone interact. energy: -1.611
local terms energy: -253.112920
where:
bonds (distance) C4'-P energy: -52.671
bonds (distance) P-C4' energy: -55.242
flat angles C4'-P-C4' energy: -54.997
flat angles P-C4'-P energy: -36.011
tors. eta vs tors. theta energy: -54.192
Dist. restrs. and SS energy: 10.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -798.359067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.359067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.447580 (E_RNA)
where:
Base-Base interactions energy: -565.591
where: short stacking energy: -217.116
Base-Backbone interact. energy: 2.695
local terms energy: -243.551132
where:
bonds (distance) C4'-P energy: -57.512
bonds (distance) P-C4' energy: -59.824
flat angles C4'-P-C4' energy: -50.833
flat angles P-C4'-P energy: -26.021
tors. eta vs tors. theta energy: -49.361
Dist. restrs. and SS energy: 8.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -1230.152446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.152446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.956263 (E_RNA)
where:
Base-Base interactions energy: -870.428
where: short stacking energy: -367.345
Base-Backbone interact. energy: -2.696
local terms energy: -359.831848
where:
bonds (distance) C4'-P energy: -65.069
bonds (distance) P-C4' energy: -68.432
flat angles C4'-P-C4' energy: -74.178
flat angles P-C4'-P energy: -47.464
tors. eta vs tors. theta energy: -104.690
Dist. restrs. and SS energy: 2.804 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -1161.822985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.822985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.550891 (E_RNA)
where:
Base-Base interactions energy: -806.819
where: short stacking energy: -342.127
Base-Backbone interact. energy: -1.123
local terms energy: -357.608764
where:
bonds (distance) C4'-P energy: -65.645
bonds (distance) P-C4' energy: -74.622
flat angles C4'-P-C4' energy: -71.056
flat angles P-C4'-P energy: -49.833
tors. eta vs tors. theta energy: -96.453
Dist. restrs. and SS energy: 3.728 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -1141.526214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.526214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.828801 (E_RNA)
where:
Base-Base interactions energy: -803.017
where: short stacking energy: -312.888
Base-Backbone interact. energy: -1.511
local terms energy: -340.300759
where:
bonds (distance) C4'-P energy: -62.286
bonds (distance) P-C4' energy: -59.546
flat angles C4'-P-C4' energy: -75.310
flat angles P-C4'-P energy: -51.925
tors. eta vs tors. theta energy: -91.234
Dist. restrs. and SS energy: 3.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -1105.739169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.739169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.707744 (E_RNA)
where:
Base-Base interactions energy: -788.519
where: short stacking energy: -297.546
Base-Backbone interact. energy: -1.971
local terms energy: -319.218265
where:
bonds (distance) C4'-P energy: -53.835
bonds (distance) P-C4' energy: -73.073
flat angles C4'-P-C4' energy: -67.115
flat angles P-C4'-P energy: -46.510
tors. eta vs tors. theta energy: -78.686
Dist. restrs. and SS energy: 3.969 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -1050.355513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.355513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.464388 (E_RNA)
where:
Base-Base interactions energy: -733.024
where: short stacking energy: -302.380
Base-Backbone interact. energy: -0.598
local terms energy: -320.842870
where:
bonds (distance) C4'-P energy: -56.321
bonds (distance) P-C4' energy: -59.459
flat angles C4'-P-C4' energy: -68.627
flat angles P-C4'-P energy: -50.623
tors. eta vs tors. theta energy: -85.812
Dist. restrs. and SS energy: 4.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -972.737252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.737252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.729423 (E_RNA)
where:
Base-Base interactions energy: -699.839
where: short stacking energy: -273.510
Base-Backbone interact. energy: -0.558
local terms energy: -275.332298
where:
bonds (distance) C4'-P energy: -51.994
bonds (distance) P-C4' energy: -60.616
flat angles C4'-P-C4' energy: -61.492
flat angles P-C4'-P energy: -38.069
tors. eta vs tors. theta energy: -63.161
Dist. restrs. and SS energy: 2.992 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -962.987449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.987449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.963883 (E_RNA)
where:
Base-Base interactions energy: -671.722
where: short stacking energy: -267.062
Base-Backbone interact. energy: -2.217
local terms energy: -293.025066
where:
bonds (distance) C4'-P energy: -55.732
bonds (distance) P-C4' energy: -67.144
flat angles C4'-P-C4' energy: -64.804
flat angles P-C4'-P energy: -39.812
tors. eta vs tors. theta energy: -65.533
Dist. restrs. and SS energy: 3.976 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -935.978886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.978886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.635929 (E_RNA)
where:
Base-Base interactions energy: -675.879
where: short stacking energy: -252.308
Base-Backbone interact. energy: 1.939
local terms energy: -265.695559
where:
bonds (distance) C4'-P energy: -47.738
bonds (distance) P-C4' energy: -51.699
flat angles C4'-P-C4' energy: -68.062
flat angles P-C4'-P energy: -34.522
tors. eta vs tors. theta energy: -63.674
Dist. restrs. and SS energy: 3.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -826.916609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.916609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.723071 (E_RNA)
where:
Base-Base interactions energy: -585.406
where: short stacking energy: -222.255
Base-Backbone interact. energy: -2.357
local terms energy: -253.960213
where:
bonds (distance) C4'-P energy: -53.571
bonds (distance) P-C4' energy: -54.601
flat angles C4'-P-C4' energy: -59.764
flat angles P-C4'-P energy: -35.326
tors. eta vs tors. theta energy: -50.698
Dist. restrs. and SS energy: 14.806 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -835.477840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.477840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.416683 (E_RNA)
where:
Base-Base interactions energy: -582.510
where: short stacking energy: -237.370
Base-Backbone interact. energy: 1.201
local terms energy: -265.107449
where:
bonds (distance) C4'-P energy: -51.780
bonds (distance) P-C4' energy: -56.626
flat angles C4'-P-C4' energy: -61.392
flat angles P-C4'-P energy: -42.776
tors. eta vs tors. theta energy: -52.532
Dist. restrs. and SS energy: 10.939 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -1232.208980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.208980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.392310 (E_RNA)
where:
Base-Base interactions energy: -872.958
where: short stacking energy: -366.731
Base-Backbone interact. energy: -0.298
local terms energy: -362.136498
where:
bonds (distance) C4'-P energy: -70.746
bonds (distance) P-C4' energy: -62.636
flat angles C4'-P-C4' energy: -77.222
flat angles P-C4'-P energy: -44.635
tors. eta vs tors. theta energy: -106.898
Dist. restrs. and SS energy: 3.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -1145.741940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.741940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.007987 (E_RNA)
where:
Base-Base interactions energy: -811.325
where: short stacking energy: -321.584
Base-Backbone interact. energy: -0.544
local terms energy: -338.138805
where:
bonds (distance) C4'-P energy: -68.826
bonds (distance) P-C4' energy: -64.320
flat angles C4'-P-C4' energy: -59.934
flat angles P-C4'-P energy: -52.940
tors. eta vs tors. theta energy: -92.119
Dist. restrs. and SS energy: 4.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -1139.704569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.704569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.930112 (E_RNA)
where:
Base-Base interactions energy: -803.277
where: short stacking energy: -316.435
Base-Backbone interact. energy: 1.944
local terms energy: -341.597484
where:
bonds (distance) C4'-P energy: -60.496
bonds (distance) P-C4' energy: -62.568
flat angles C4'-P-C4' energy: -76.612
flat angles P-C4'-P energy: -54.262
tors. eta vs tors. theta energy: -87.659
Dist. restrs. and SS energy: 3.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -1108.492503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.492503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.372253 (E_RNA)
where:
Base-Base interactions energy: -777.486
where: short stacking energy: -317.580
Base-Backbone interact. energy: -0.107
local terms energy: -334.778662
where:
bonds (distance) C4'-P energy: -70.853
bonds (distance) P-C4' energy: -67.866
flat angles C4'-P-C4' energy: -65.802
flat angles P-C4'-P energy: -52.124
tors. eta vs tors. theta energy: -78.134
Dist. restrs. and SS energy: 3.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -1045.901435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.901435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.575297 (E_RNA)
where:
Base-Base interactions energy: -736.679
where: short stacking energy: -296.120
Base-Backbone interact. energy: -3.101
local terms energy: -308.795572
where:
bonds (distance) C4'-P energy: -48.432
bonds (distance) P-C4' energy: -58.937
flat angles C4'-P-C4' energy: -71.910
flat angles P-C4'-P energy: -45.279
tors. eta vs tors. theta energy: -84.237
Dist. restrs. and SS energy: 2.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -998.653981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.653981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.707478 (E_RNA)
where:
Base-Base interactions energy: -700.583
where: short stacking energy: -280.852
Base-Backbone interact. energy: -0.728
local terms energy: -300.396148
where:
bonds (distance) C4'-P energy: -55.543
bonds (distance) P-C4' energy: -59.466
flat angles C4'-P-C4' energy: -64.950
flat angles P-C4'-P energy: -45.658
tors. eta vs tors. theta energy: -74.779
Dist. restrs. and SS energy: 3.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -925.222514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.222514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.434665 (E_RNA)
where:
Base-Base interactions energy: -641.635
where: short stacking energy: -247.607
Base-Backbone interact. energy: 0.155
local terms energy: -288.954281
where:
bonds (distance) C4'-P energy: -69.343
bonds (distance) P-C4' energy: -62.611
flat angles C4'-P-C4' energy: -65.967
flat angles P-C4'-P energy: -37.244
tors. eta vs tors. theta energy: -53.790
Dist. restrs. and SS energy: 5.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -932.813029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.813029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.525448 (E_RNA)
where:
Base-Base interactions energy: -663.827
where: short stacking energy: -255.834
Base-Backbone interact. energy: 2.786
local terms energy: -276.484522
where:
bonds (distance) C4'-P energy: -58.300
bonds (distance) P-C4' energy: -52.849
flat angles C4'-P-C4' energy: -67.012
flat angles P-C4'-P energy: -40.941
tors. eta vs tors. theta energy: -57.383
Dist. restrs. and SS energy: 4.712 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -822.301371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.301371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.050825 (E_RNA)
where:
Base-Base interactions energy: -581.344
where: short stacking energy: -232.073
Base-Backbone interact. energy: -1.100
local terms energy: -246.607044
where:
bonds (distance) C4'-P energy: -54.115
bonds (distance) P-C4' energy: -54.868
flat angles C4'-P-C4' energy: -51.349
flat angles P-C4'-P energy: -42.007
tors. eta vs tors. theta energy: -44.268
Dist. restrs. and SS energy: 6.749 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -869.300717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.300717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.608472 (E_RNA)
where:
Base-Base interactions energy: -601.412
where: short stacking energy: -244.614
Base-Backbone interact. energy: -2.917
local terms energy: -269.279678
where:
bonds (distance) C4'-P energy: -59.384
bonds (distance) P-C4' energy: -56.275
flat angles C4'-P-C4' energy: -55.063
flat angles P-C4'-P energy: -38.938
tors. eta vs tors. theta energy: -59.620
Dist. restrs. and SS energy: 4.308 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -1241.652653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.652653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.471587 (E_RNA)
where:
Base-Base interactions energy: -875.427
where: short stacking energy: -352.682
Base-Backbone interact. energy: -1.593
local terms energy: -367.451279
where:
bonds (distance) C4'-P energy: -62.761
bonds (distance) P-C4' energy: -74.340
flat angles C4'-P-C4' energy: -77.513
flat angles P-C4'-P energy: -55.029
tors. eta vs tors. theta energy: -97.807
Dist. restrs. and SS energy: 2.819 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -1158.216446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.216446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.239153 (E_RNA)
where:
Base-Base interactions energy: -809.402
where: short stacking energy: -323.050
Base-Backbone interact. energy: -1.469
local terms energy: -350.367623
where:
bonds (distance) C4'-P energy: -65.081
bonds (distance) P-C4' energy: -76.591
flat angles C4'-P-C4' energy: -69.854
flat angles P-C4'-P energy: -47.499
tors. eta vs tors. theta energy: -91.341
Dist. restrs. and SS energy: 3.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -1143.268982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.268982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.423656 (E_RNA)
where:
Base-Base interactions energy: -799.675
where: short stacking energy: -327.036
Base-Backbone interact. energy: -3.416
local terms energy: -343.332754
where:
bonds (distance) C4'-P energy: -65.991
bonds (distance) P-C4' energy: -66.090
flat angles C4'-P-C4' energy: -73.621
flat angles P-C4'-P energy: -45.909
tors. eta vs tors. theta energy: -91.721
Dist. restrs. and SS energy: 3.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -1103.255110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.255110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.298518 (E_RNA)
where:
Base-Base interactions energy: -776.221
where: short stacking energy: -302.709
Base-Backbone interact. energy: -0.401
local terms energy: -329.676251
where:
bonds (distance) C4'-P energy: -64.409
bonds (distance) P-C4' energy: -65.164
flat angles C4'-P-C4' energy: -70.710
flat angles P-C4'-P energy: -50.044
tors. eta vs tors. theta energy: -79.349
Dist. restrs. and SS energy: 3.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -1027.662265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.662265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.713178 (E_RNA)
where:
Base-Base interactions energy: -738.552
where: short stacking energy: -289.808
Base-Backbone interact. energy: 0.619
local terms energy: -292.779805
where:
bonds (distance) C4'-P energy: -53.392
bonds (distance) P-C4' energy: -53.484
flat angles C4'-P-C4' energy: -60.984
flat angles P-C4'-P energy: -48.273
tors. eta vs tors. theta energy: -76.647
Dist. restrs. and SS energy: 3.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -979.978549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.978549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.969062 (E_RNA)
where:
Base-Base interactions energy: -693.221
where: short stacking energy: -275.378
Base-Backbone interact. energy: -3.307
local terms energy: -289.440533
where:
bonds (distance) C4'-P energy: -57.658
bonds (distance) P-C4' energy: -54.421
flat angles C4'-P-C4' energy: -60.535
flat angles P-C4'-P energy: -53.158
tors. eta vs tors. theta energy: -63.669
Dist. restrs. and SS energy: 5.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -959.235561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.235561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.343047 (E_RNA)
where:
Base-Base interactions energy: -669.938
where: short stacking energy: -247.562
Base-Backbone interact. energy: 1.382
local terms energy: -293.787167
where:
bonds (distance) C4'-P energy: -62.744
bonds (distance) P-C4' energy: -58.264
flat angles C4'-P-C4' energy: -64.851
flat angles P-C4'-P energy: -44.328
tors. eta vs tors. theta energy: -63.599
Dist. restrs. and SS energy: 3.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -916.615223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.615223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.882513 (E_RNA)
where:
Base-Base interactions energy: -630.868
where: short stacking energy: -251.047
Base-Backbone interact. energy: -0.747
local terms energy: -289.266786
where:
bonds (distance) C4'-P energy: -58.462
bonds (distance) P-C4' energy: -60.615
flat angles C4'-P-C4' energy: -63.000
flat angles P-C4'-P energy: -45.986
tors. eta vs tors. theta energy: -61.204
Dist. restrs. and SS energy: 4.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -830.907098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.907098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.930999 (E_RNA)
where:
Base-Base interactions energy: -583.344
where: short stacking energy: -216.653
Base-Backbone interact. energy: -3.159
local terms energy: -260.428373
where:
bonds (distance) C4'-P energy: -55.004
bonds (distance) P-C4' energy: -59.810
flat angles C4'-P-C4' energy: -64.781
flat angles P-C4'-P energy: -34.620
tors. eta vs tors. theta energy: -46.214
Dist. restrs. and SS energy: 16.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -860.554832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.554832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.849699 (E_RNA)
where:
Base-Base interactions energy: -617.638
where: short stacking energy: -238.680
Base-Backbone interact. energy: 5.948
local terms energy: -254.160255
where:
bonds (distance) C4'-P energy: -56.869
bonds (distance) P-C4' energy: -48.948
flat angles C4'-P-C4' energy: -58.638
flat angles P-C4'-P energy: -40.251
tors. eta vs tors. theta energy: -49.455
Dist. restrs. and SS energy: 5.295 (S_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: 241
Temperature: 0.900000
Total energy: -1233.574310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.574310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.202321 (E_RNA)
where:
Base-Base interactions energy: -866.135
where: short stacking energy: -348.061
Base-Backbone interact. energy: -0.439
local terms energy: -369.629025
where:
bonds (distance) C4'-P energy: -71.020
bonds (distance) P-C4' energy: -71.112
flat angles C4'-P-C4' energy: -72.165
flat angles P-C4'-P energy: -52.912
tors. eta vs tors. theta energy: -102.421
Dist. restrs. and SS energy: 2.628 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -1151.114372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.114372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.539034 (E_RNA)
where:
Base-Base interactions energy: -799.314
where: short stacking energy: -328.209
Base-Backbone interact. energy: -0.277
local terms energy: -354.947712
where:
bonds (distance) C4'-P energy: -61.861
bonds (distance) P-C4' energy: -72.418
flat angles C4'-P-C4' energy: -74.878
flat angles P-C4'-P energy: -51.405
tors. eta vs tors. theta energy: -94.385
Dist. restrs. and SS energy: 3.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -1144.862660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.862660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.293835 (E_RNA)
where:
Base-Base interactions energy: -804.397
where: short stacking energy: -326.200
Base-Backbone interact. energy: -2.240
local terms energy: -341.656063
where:
bonds (distance) C4'-P energy: -62.871
bonds (distance) P-C4' energy: -69.714
flat angles C4'-P-C4' energy: -65.980
flat angles P-C4'-P energy: -49.546
tors. eta vs tors. theta energy: -93.544
Dist. restrs. and SS energy: 3.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -1107.414972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.414972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.109586 (E_RNA)
where:
Base-Base interactions energy: -805.036
where: short stacking energy: -301.111
Base-Backbone interact. energy: -1.424
local terms energy: -303.649784
where:
bonds (distance) C4'-P energy: -59.061
bonds (distance) P-C4' energy: -61.649
flat angles C4'-P-C4' energy: -72.163
flat angles P-C4'-P energy: -31.391
tors. eta vs tors. theta energy: -79.386
Dist. restrs. and SS energy: 2.695 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -1032.677717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.677717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.422265 (E_RNA)
where:
Base-Base interactions energy: -733.650
where: short stacking energy: -297.142
Base-Backbone interact. energy: -0.882
local terms energy: -304.890398
where:
bonds (distance) C4'-P energy: -53.752
bonds (distance) P-C4' energy: -64.737
flat angles C4'-P-C4' energy: -67.364
flat angles P-C4'-P energy: -43.226
tors. eta vs tors. theta energy: -75.811
Dist. restrs. and SS energy: 6.745 (S_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: 241
Temperature: 1.150000
Total energy: -989.076232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.076232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.817804 (E_RNA)
where:
Base-Base interactions energy: -706.120
where: short stacking energy: -278.413
Base-Backbone interact. energy: -0.093
local terms energy: -285.604388
where:
bonds (distance) C4'-P energy: -63.311
bonds (distance) P-C4' energy: -64.044
flat angles C4'-P-C4' energy: -60.424
flat angles P-C4'-P energy: -36.127
tors. eta vs tors. theta energy: -61.699
Dist. restrs. and SS energy: 2.742 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -965.498402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.498402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.471846 (E_RNA)
where:
Base-Base interactions energy: -686.084
where: short stacking energy: -266.768
Base-Backbone interact. energy: -3.494
local terms energy: -279.893509
where:
bonds (distance) C4'-P energy: -53.492
bonds (distance) P-C4' energy: -56.445
flat angles C4'-P-C4' energy: -69.502
flat angles P-C4'-P energy: -42.491
tors. eta vs tors. theta energy: -57.963
Dist. restrs. and SS energy: 3.973 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -921.835051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.835051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.213367 (E_RNA)
where:
Base-Base interactions energy: -646.526
where: short stacking energy: -262.254
Base-Backbone interact. energy: -2.158
local terms energy: -279.529887
where:
bonds (distance) C4'-P energy: -67.287
bonds (distance) P-C4' energy: -59.957
flat angles C4'-P-C4' energy: -58.144
flat angles P-C4'-P energy: -34.193
tors. eta vs tors. theta energy: -59.950
Dist. restrs. and SS energy: 6.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -836.217708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.217708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.777823 (E_RNA)
where:
Base-Base interactions energy: -571.209
where: short stacking energy: -219.036
Base-Backbone interact. energy: -0.665
local terms energy: -271.903344
where:
bonds (distance) C4'-P energy: -65.323
bonds (distance) P-C4' energy: -61.773
flat angles C4'-P-C4' energy: -64.681
flat angles P-C4'-P energy: -25.610
tors. eta vs tors. theta energy: -54.517
Dist. restrs. and SS energy: 7.560 (S_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: 241
Temperature: 1.350000
Total energy: -844.865441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.865441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.905461 (E_RNA)
where:
Base-Base interactions energy: -609.210
where: short stacking energy: -204.806
Base-Backbone interact. energy: 2.491
local terms energy: -242.187149
where:
bonds (distance) C4'-P energy: -61.848
bonds (distance) P-C4' energy: -49.411
flat angles C4'-P-C4' energy: -52.531
flat angles P-C4'-P energy: -41.371
tors. eta vs tors. theta energy: -37.026
Dist. restrs. and SS energy: 4.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -1242.341956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.341956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.130701 (E_RNA)
where:
Base-Base interactions energy: -879.591
where: short stacking energy: -348.030
Base-Backbone interact. energy: -1.699
local terms energy: -363.840963
where:
bonds (distance) C4'-P energy: -66.518
bonds (distance) P-C4' energy: -72.708
flat angles C4'-P-C4' energy: -72.669
flat angles P-C4'-P energy: -45.967
tors. eta vs tors. theta energy: -105.979
Dist. restrs. and SS energy: 2.789 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -1149.873202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.873202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.065595 (E_RNA)
where:
Base-Base interactions energy: -801.495
where: short stacking energy: -331.795
Base-Backbone interact. energy: -0.126
local terms energy: -351.444648
where:
bonds (distance) C4'-P energy: -67.399
bonds (distance) P-C4' energy: -71.630
flat angles C4'-P-C4' energy: -69.561
flat angles P-C4'-P energy: -50.929
tors. eta vs tors. theta energy: -91.926
Dist. restrs. and SS energy: 3.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -1127.930781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.930781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.062785 (E_RNA)
where:
Base-Base interactions energy: -789.188
where: short stacking energy: -316.441
Base-Backbone interact. energy: -3.278
local terms energy: -338.596366
where:
bonds (distance) C4'-P energy: -65.448
bonds (distance) P-C4' energy: -69.162
flat angles C4'-P-C4' energy: -71.928
flat angles P-C4'-P energy: -48.714
tors. eta vs tors. theta energy: -83.345
Dist. restrs. and SS energy: 3.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -1108.591735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.591735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.813995 (E_RNA)
where:
Base-Base interactions energy: -791.282
where: short stacking energy: -303.440
Base-Backbone interact. energy: -2.330
local terms energy: -318.201942
where:
bonds (distance) C4'-P energy: -60.931
bonds (distance) P-C4' energy: -60.591
flat angles C4'-P-C4' energy: -65.886
flat angles P-C4'-P energy: -53.781
tors. eta vs tors. theta energy: -77.013
Dist. restrs. and SS energy: 3.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -1017.746814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.746814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.942592 (E_RNA)
where:
Base-Base interactions energy: -705.102
where: short stacking energy: -289.155
Base-Backbone interact. energy: 0.819
local terms energy: -316.659273
where:
bonds (distance) C4'-P energy: -65.657
bonds (distance) P-C4' energy: -66.030
flat angles C4'-P-C4' energy: -63.892
flat angles P-C4'-P energy: -44.394
tors. eta vs tors. theta energy: -76.687
Dist. restrs. and SS energy: 3.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -979.095906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.095906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.956901 (E_RNA)
where:
Base-Base interactions energy: -674.305
where: short stacking energy: -262.403
Base-Backbone interact. energy: -3.036
local terms energy: -304.615252
where:
bonds (distance) C4'-P energy: -57.777
bonds (distance) P-C4' energy: -59.228
flat angles C4'-P-C4' energy: -66.740
flat angles P-C4'-P energy: -53.097
tors. eta vs tors. theta energy: -67.773
Dist. restrs. and SS energy: 2.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -917.137151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.137151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.101114 (E_RNA)
where:
Base-Base interactions energy: -633.996
where: short stacking energy: -246.142
Base-Backbone interact. energy: -1.418
local terms energy: -286.687326
where:
bonds (distance) C4'-P energy: -53.907
bonds (distance) P-C4' energy: -64.418
flat angles C4'-P-C4' energy: -61.843
flat angles P-C4'-P energy: -40.382
tors. eta vs tors. theta energy: -66.138
Dist. restrs. and SS energy: 4.964 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -930.535346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.535346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.787489 (E_RNA)
where:
Base-Base interactions energy: -649.708
where: short stacking energy: -267.308
Base-Backbone interact. energy: -1.479
local terms energy: -283.600984
where:
bonds (distance) C4'-P energy: -50.676
bonds (distance) P-C4' energy: -60.396
flat angles C4'-P-C4' energy: -57.477
flat angles P-C4'-P energy: -38.385
tors. eta vs tors. theta energy: -76.668
Dist. restrs. and SS energy: 4.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -824.049470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.049470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.428903 (E_RNA)
where:
Base-Base interactions energy: -588.284
where: short stacking energy: -221.460
Base-Backbone interact. energy: -1.005
local terms energy: -242.140631
where:
bonds (distance) C4'-P energy: -52.341
bonds (distance) P-C4' energy: -53.033
flat angles C4'-P-C4' energy: -49.210
flat angles P-C4'-P energy: -44.914
tors. eta vs tors. theta energy: -42.642
Dist. restrs. and SS energy: 7.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -842.044462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.044462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.623159 (E_RNA)
where:
Base-Base interactions energy: -614.999
where: short stacking energy: -236.267
Base-Backbone interact. energy: -0.103
local terms energy: -230.521268
where:
bonds (distance) C4'-P energy: -59.757
bonds (distance) P-C4' energy: -30.814
flat angles C4'-P-C4' energy: -50.323
flat angles P-C4'-P energy: -36.033
tors. eta vs tors. theta energy: -53.594
Dist. restrs. and SS energy: 3.579 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -1243.312941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.312941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.183465 (E_RNA)
where:
Base-Base interactions energy: -863.697
where: short stacking energy: -348.117
Base-Backbone interact. energy: -1.405
local terms energy: -381.081412
where:
bonds (distance) C4'-P energy: -70.674
bonds (distance) P-C4' energy: -69.978
flat angles C4'-P-C4' energy: -79.005
flat angles P-C4'-P energy: -58.113
tors. eta vs tors. theta energy: -103.312
Dist. restrs. and SS energy: 2.871 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -1142.524356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.524356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.412125 (E_RNA)
where:
Base-Base interactions energy: -779.435
where: short stacking energy: -313.382
Base-Backbone interact. energy: -2.099
local terms energy: -363.877690
where:
bonds (distance) C4'-P energy: -67.374
bonds (distance) P-C4' energy: -79.161
flat angles C4'-P-C4' energy: -79.236
flat angles P-C4'-P energy: -48.831
tors. eta vs tors. theta energy: -89.276
Dist. restrs. and SS energy: 2.888 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -1135.102483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.102483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.348235 (E_RNA)
where:
Base-Base interactions energy: -786.419
where: short stacking energy: -305.876
Base-Backbone interact. energy: -1.933
local terms energy: -349.996706
where:
bonds (distance) C4'-P energy: -65.114
bonds (distance) P-C4' energy: -73.394
flat angles C4'-P-C4' energy: -74.703
flat angles P-C4'-P energy: -49.213
tors. eta vs tors. theta energy: -87.572
Dist. restrs. and SS energy: 3.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -1080.829766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.829766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.933832 (E_RNA)
where:
Base-Base interactions energy: -767.906
where: short stacking energy: -297.797
Base-Backbone interact. energy: -1.538
local terms energy: -314.489631
where:
bonds (distance) C4'-P energy: -51.872
bonds (distance) P-C4' energy: -62.384
flat angles C4'-P-C4' energy: -75.858
flat angles P-C4'-P energy: -55.653
tors. eta vs tors. theta energy: -68.723
Dist. restrs. and SS energy: 3.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -1035.396445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.396445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.677963 (E_RNA)
where:
Base-Base interactions energy: -720.474
where: short stacking energy: -285.664
Base-Backbone interact. energy: 1.521
local terms energy: -319.724723
where:
bonds (distance) C4'-P energy: -67.983
bonds (distance) P-C4' energy: -55.432
flat angles C4'-P-C4' energy: -69.810
flat angles P-C4'-P energy: -45.161
tors. eta vs tors. theta energy: -81.338
Dist. restrs. and SS energy: 3.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -964.186507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.186507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.634451 (E_RNA)
where:
Base-Base interactions energy: -670.009
where: short stacking energy: -275.154
Base-Backbone interact. energy: -1.599
local terms energy: -299.026456
where:
bonds (distance) C4'-P energy: -62.097
bonds (distance) P-C4' energy: -57.775
flat angles C4'-P-C4' energy: -58.936
flat angles P-C4'-P energy: -45.760
tors. eta vs tors. theta energy: -74.458
Dist. restrs. and SS energy: 6.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -930.833416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.833416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.918924 (E_RNA)
where:
Base-Base interactions energy: -657.023
where: short stacking energy: -259.246
Base-Backbone interact. energy: -1.592
local terms energy: -277.303913
where:
bonds (distance) C4'-P energy: -66.861
bonds (distance) P-C4' energy: -50.113
flat angles C4'-P-C4' energy: -60.430
flat angles P-C4'-P energy: -46.941
tors. eta vs tors. theta energy: -52.958
Dist. restrs. and SS energy: 5.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -931.619903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.619903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.726400 (E_RNA)
where:
Base-Base interactions energy: -648.067
where: short stacking energy: -250.340
Base-Backbone interact. energy: -0.542
local terms energy: -286.117448
where:
bonds (distance) C4'-P energy: -59.746
bonds (distance) P-C4' energy: -59.845
flat angles C4'-P-C4' energy: -54.328
flat angles P-C4'-P energy: -47.060
tors. eta vs tors. theta energy: -65.139
Dist. restrs. and SS energy: 3.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -805.368117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.368117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.756503 (E_RNA)
where:
Base-Base interactions energy: -574.437
where: short stacking energy: -247.724
Base-Backbone interact. energy: -1.760
local terms energy: -246.559288
where:
bonds (distance) C4'-P energy: -46.939
bonds (distance) P-C4' energy: -57.405
flat angles C4'-P-C4' energy: -51.494
flat angles P-C4'-P energy: -30.069
tors. eta vs tors. theta energy: -60.652
Dist. restrs. and SS energy: 17.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -852.444221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.444221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.575138 (E_RNA)
where:
Base-Base interactions energy: -612.878
where: short stacking energy: -229.633
Base-Backbone interact. energy: -2.227
local terms energy: -244.469646
where:
bonds (distance) C4'-P energy: -52.176
bonds (distance) P-C4' energy: -49.387
flat angles C4'-P-C4' energy: -56.095
flat angles P-C4'-P energy: -37.559
tors. eta vs tors. theta energy: -49.253
Dist. restrs. and SS energy: 7.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -1233.338454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.338454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.881554 (E_RNA)
where:
Base-Base interactions energy: -852.337
where: short stacking energy: -359.526
Base-Backbone interact. energy: -2.751
local terms energy: -381.793833
where:
bonds (distance) C4'-P energy: -66.497
bonds (distance) P-C4' energy: -74.608
flat angles C4'-P-C4' energy: -79.031
flat angles P-C4'-P energy: -46.899
tors. eta vs tors. theta energy: -114.759
Dist. restrs. and SS energy: 3.543 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -1156.704794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.704794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.583242 (E_RNA)
where:
Base-Base interactions energy: -817.986
where: short stacking energy: -320.267
Base-Backbone interact. energy: -1.903
local terms energy: -339.694139
where:
bonds (distance) C4'-P energy: -57.638
bonds (distance) P-C4' energy: -61.942
flat angles C4'-P-C4' energy: -78.153
flat angles P-C4'-P energy: -51.073
tors. eta vs tors. theta energy: -90.888
Dist. restrs. and SS energy: 2.878 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -1153.654956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.654956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.468341 (E_RNA)
where:
Base-Base interactions energy: -808.963
where: short stacking energy: -323.052
Base-Backbone interact. energy: -3.907
local terms energy: -343.598314
where:
bonds (distance) C4'-P energy: -63.791
bonds (distance) P-C4' energy: -74.351
flat angles C4'-P-C4' energy: -71.529
flat angles P-C4'-P energy: -44.151
tors. eta vs tors. theta energy: -89.776
Dist. restrs. and SS energy: 2.813 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -1099.449787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.449787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.777317 (E_RNA)
where:
Base-Base interactions energy: -784.802
where: short stacking energy: -305.831
Base-Backbone interact. energy: -1.957
local terms energy: -316.018126
where:
bonds (distance) C4'-P energy: -54.257
bonds (distance) P-C4' energy: -62.137
flat angles C4'-P-C4' energy: -70.709
flat angles P-C4'-P energy: -46.688
tors. eta vs tors. theta energy: -82.227
Dist. restrs. and SS energy: 3.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -1055.623712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.623712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.705466 (E_RNA)
where:
Base-Base interactions energy: -729.128
where: short stacking energy: -282.122
Base-Backbone interact. energy: 4.666
local terms energy: -335.243985
where:
bonds (distance) C4'-P energy: -60.604
bonds (distance) P-C4' energy: -70.035
flat angles C4'-P-C4' energy: -68.984
flat angles P-C4'-P energy: -52.732
tors. eta vs tors. theta energy: -82.888
Dist. restrs. and SS energy: 4.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -972.312827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.312827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.538072 (E_RNA)
where:
Base-Base interactions energy: -666.171
where: short stacking energy: -271.460
Base-Backbone interact. energy: -1.243
local terms energy: -314.123361
where:
bonds (distance) C4'-P energy: -66.050
bonds (distance) P-C4' energy: -60.816
flat angles C4'-P-C4' energy: -66.022
flat angles P-C4'-P energy: -53.453
tors. eta vs tors. theta energy: -67.783
Dist. restrs. and SS energy: 9.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -934.471706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.471706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.476911 (E_RNA)
where:
Base-Base interactions energy: -672.541
where: short stacking energy: -262.683
Base-Backbone interact. energy: -1.849
local terms energy: -264.087002
where:
bonds (distance) C4'-P energy: -41.333
bonds (distance) P-C4' energy: -48.458
flat angles C4'-P-C4' energy: -62.918
flat angles P-C4'-P energy: -42.900
tors. eta vs tors. theta energy: -68.478
Dist. restrs. and SS energy: 4.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -887.743519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.743519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.502473 (E_RNA)
where:
Base-Base interactions energy: -611.343
where: short stacking energy: -262.268
Base-Backbone interact. energy: 3.486
local terms energy: -292.645247
where:
bonds (distance) C4'-P energy: -52.688
bonds (distance) P-C4' energy: -59.864
flat angles C4'-P-C4' energy: -68.189
flat angles P-C4'-P energy: -43.652
tors. eta vs tors. theta energy: -68.253
Dist. restrs. and SS energy: 12.759 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -916.725676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.725676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.208211 (E_RNA)
where:
Base-Base interactions energy: -643.333
where: short stacking energy: -244.231
Base-Backbone interact. energy: 3.723
local terms energy: -281.597984
where:
bonds (distance) C4'-P energy: -58.584
bonds (distance) P-C4' energy: -50.036
flat angles C4'-P-C4' energy: -67.645
flat angles P-C4'-P energy: -42.710
tors. eta vs tors. theta energy: -62.623
Dist. restrs. and SS energy: 4.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -752.365060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.365060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.057388 (E_RNA)
where:
Base-Base interactions energy: -540.823
where: short stacking energy: -212.209
Base-Backbone interact. energy: -0.960
local terms energy: -224.274432
where:
bonds (distance) C4'-P energy: -36.922
bonds (distance) P-C4' energy: -62.194
flat angles C4'-P-C4' energy: -56.890
flat angles P-C4'-P energy: -21.409
tors. eta vs tors. theta energy: -46.860
Dist. restrs. and SS energy: 13.692 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -1235.900951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.900951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.101645 (E_RNA)
where:
Base-Base interactions energy: -863.637
where: short stacking energy: -344.116
Base-Backbone interact. energy: -1.279
local terms energy: -374.186457
where:
bonds (distance) C4'-P energy: -67.053
bonds (distance) P-C4' energy: -68.903
flat angles C4'-P-C4' energy: -81.116
flat angles P-C4'-P energy: -51.914
tors. eta vs tors. theta energy: -105.200
Dist. restrs. and SS energy: 3.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -1139.239881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.239881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.862136 (E_RNA)
where:
Base-Base interactions energy: -786.059
where: short stacking energy: -318.188
Base-Backbone interact. energy: -3.327
local terms energy: -353.475841
where:
bonds (distance) C4'-P energy: -65.768
bonds (distance) P-C4' energy: -67.508
flat angles C4'-P-C4' energy: -76.232
flat angles P-C4'-P energy: -56.535
tors. eta vs tors. theta energy: -87.432
Dist. restrs. and SS energy: 3.622 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -1117.305438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.305438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.754542 (E_RNA)
where:
Base-Base interactions energy: -799.117
where: short stacking energy: -319.823
Base-Backbone interact. energy: -3.114
local terms energy: -318.523721
where:
bonds (distance) C4'-P energy: -61.312
bonds (distance) P-C4' energy: -61.960
flat angles C4'-P-C4' energy: -59.800
flat angles P-C4'-P energy: -47.926
tors. eta vs tors. theta energy: -87.526
Dist. restrs. and SS energy: 3.449 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -1084.424814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.424814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.247887 (E_RNA)
where:
Base-Base interactions energy: -764.543
where: short stacking energy: -279.117
Base-Backbone interact. energy: -1.303
local terms energy: -321.401985
where:
bonds (distance) C4'-P energy: -56.811
bonds (distance) P-C4' energy: -62.534
flat angles C4'-P-C4' energy: -69.413
flat angles P-C4'-P energy: -53.002
tors. eta vs tors. theta energy: -79.641
Dist. restrs. and SS energy: 2.823 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -1035.741964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.741964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.731548 (E_RNA)
where:
Base-Base interactions energy: -735.120
where: short stacking energy: -303.145
Base-Backbone interact. energy: 3.961
local terms energy: -307.572118
where:
bonds (distance) C4'-P energy: -60.494
bonds (distance) P-C4' energy: -58.755
flat angles C4'-P-C4' energy: -55.383
flat angles P-C4'-P energy: -53.340
tors. eta vs tors. theta energy: -79.601
Dist. restrs. and SS energy: 2.990 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -956.744821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.744821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.762703 (E_RNA)
where:
Base-Base interactions energy: -664.175
where: short stacking energy: -255.321
Base-Backbone interact. energy: -3.016
local terms energy: -294.572190
where:
bonds (distance) C4'-P energy: -53.393
bonds (distance) P-C4' energy: -61.761
flat angles C4'-P-C4' energy: -70.993
flat angles P-C4'-P energy: -33.763
tors. eta vs tors. theta energy: -74.663
Dist. restrs. and SS energy: 5.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -915.297643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.297643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.933663 (E_RNA)
where:
Base-Base interactions energy: -642.308
where: short stacking energy: -255.443
Base-Backbone interact. energy: -1.249
local terms energy: -279.376382
where:
bonds (distance) C4'-P energy: -52.437
bonds (distance) P-C4' energy: -62.409
flat angles C4'-P-C4' energy: -63.741
flat angles P-C4'-P energy: -34.791
tors. eta vs tors. theta energy: -65.998
Dist. restrs. and SS energy: 7.636 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -895.664417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.664417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.306142 (E_RNA)
where:
Base-Base interactions energy: -626.926
where: short stacking energy: -255.762
Base-Backbone interact. energy: 1.431
local terms energy: -279.810864
where:
bonds (distance) C4'-P energy: -56.878
bonds (distance) P-C4' energy: -50.705
flat angles C4'-P-C4' energy: -67.056
flat angles P-C4'-P energy: -40.319
tors. eta vs tors. theta energy: -64.854
Dist. restrs. and SS energy: 9.642 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -877.612121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.612121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.766929 (E_RNA)
where:
Base-Base interactions energy: -618.498
where: short stacking energy: -252.133
Base-Backbone interact. energy: 2.747
local terms energy: -272.016616
where:
bonds (distance) C4'-P energy: -52.597
bonds (distance) P-C4' energy: -58.615
flat angles C4'-P-C4' energy: -66.079
flat angles P-C4'-P energy: -34.549
tors. eta vs tors. theta energy: -60.175
Dist. restrs. and SS energy: 10.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -798.376552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.376552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.868940 (E_RNA)
where:
Base-Base interactions energy: -558.466
where: short stacking energy: -223.932
Base-Backbone interact. energy: -3.148
local terms energy: -245.254859
where:
bonds (distance) C4'-P energy: -42.073
bonds (distance) P-C4' energy: -58.038
flat angles C4'-P-C4' energy: -57.054
flat angles P-C4'-P energy: -41.161
tors. eta vs tors. theta energy: -46.929
Dist. restrs. and SS energy: 8.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -1239.782114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.782114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.114607 (E_RNA)
where:
Base-Base interactions energy: -847.263
where: short stacking energy: -350.620
Base-Backbone interact. energy: -3.910
local terms energy: -391.941694
where:
bonds (distance) C4'-P energy: -71.127
bonds (distance) P-C4' energy: -70.788
flat angles C4'-P-C4' energy: -79.562
flat angles P-C4'-P energy: -57.713
tors. eta vs tors. theta energy: -112.753
Dist. restrs. and SS energy: 3.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -1153.396924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.396924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.906412 (E_RNA)
where:
Base-Base interactions energy: -793.349
where: short stacking energy: -316.693
Base-Backbone interact. energy: -1.904
local terms energy: -363.653692
where:
bonds (distance) C4'-P energy: -64.827
bonds (distance) P-C4' energy: -75.417
flat angles C4'-P-C4' energy: -79.614
flat angles P-C4'-P energy: -57.453
tors. eta vs tors. theta energy: -86.343
Dist. restrs. and SS energy: 5.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -1151.260462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.260462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.415886 (E_RNA)
where:
Base-Base interactions energy: -794.359
where: short stacking energy: -337.584
Base-Backbone interact. energy: -1.503
local terms energy: -358.553143
where:
bonds (distance) C4'-P energy: -64.960
bonds (distance) P-C4' energy: -64.904
flat angles C4'-P-C4' energy: -78.210
flat angles P-C4'-P energy: -52.660
tors. eta vs tors. theta energy: -97.819
Dist. restrs. and SS energy: 3.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -1105.969561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.969561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.218415 (E_RNA)
where:
Base-Base interactions energy: -781.523
where: short stacking energy: -302.890
Base-Backbone interact. energy: 3.501
local terms energy: -331.196923
where:
bonds (distance) C4'-P energy: -69.054
bonds (distance) P-C4' energy: -62.361
flat angles C4'-P-C4' energy: -73.421
flat angles P-C4'-P energy: -50.843
tors. eta vs tors. theta energy: -75.518
Dist. restrs. and SS energy: 3.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -1042.297526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.297526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.301935 (E_RNA)
where:
Base-Base interactions energy: -725.943
where: short stacking energy: -302.343
Base-Backbone interact. energy: -2.090
local terms energy: -317.268425
where:
bonds (distance) C4'-P energy: -60.839
bonds (distance) P-C4' energy: -54.745
flat angles C4'-P-C4' energy: -68.892
flat angles P-C4'-P energy: -49.709
tors. eta vs tors. theta energy: -83.084
Dist. restrs. and SS energy: 3.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -997.577546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.577546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.360660 (E_RNA)
where:
Base-Base interactions energy: -718.554
where: short stacking energy: -287.047
Base-Backbone interact. energy: 6.746
local terms energy: -288.552751
where:
bonds (distance) C4'-P energy: -46.593
bonds (distance) P-C4' energy: -63.144
flat angles C4'-P-C4' energy: -61.557
flat angles P-C4'-P energy: -43.466
tors. eta vs tors. theta energy: -73.793
Dist. restrs. and SS energy: 2.783 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -922.724946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.724946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.117253 (E_RNA)
where:
Base-Base interactions energy: -648.380
where: short stacking energy: -254.173
Base-Backbone interact. energy: 1.032
local terms energy: -281.769383
where:
bonds (distance) C4'-P energy: -66.644
bonds (distance) P-C4' energy: -51.629
flat angles C4'-P-C4' energy: -63.442
flat angles P-C4'-P energy: -43.226
tors. eta vs tors. theta energy: -56.829
Dist. restrs. and SS energy: 6.392 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -923.745780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.745780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.674850 (E_RNA)
where:
Base-Base interactions energy: -652.037
where: short stacking energy: -260.541
Base-Backbone interact. energy: 0.216
local terms energy: -275.853205
where:
bonds (distance) C4'-P energy: -38.586
bonds (distance) P-C4' energy: -67.064
flat angles C4'-P-C4' energy: -59.574
flat angles P-C4'-P energy: -39.221
tors. eta vs tors. theta energy: -71.409
Dist. restrs. and SS energy: 3.929 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -906.466096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.466096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.380519 (E_RNA)
where:
Base-Base interactions energy: -633.123
where: short stacking energy: -243.972
Base-Backbone interact. energy: -1.408
local terms energy: -280.849109
where:
bonds (distance) C4'-P energy: -55.324
bonds (distance) P-C4' energy: -57.188
flat angles C4'-P-C4' energy: -56.227
flat angles P-C4'-P energy: -42.127
tors. eta vs tors. theta energy: -69.984
Dist. restrs. and SS energy: 8.914 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -793.197157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.197157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.301032 (E_RNA)
where:
Base-Base interactions energy: -554.762
where: short stacking energy: -207.503
Base-Backbone interact. energy: -2.830
local terms energy: -248.709349
where:
bonds (distance) C4'-P energy: -65.735
bonds (distance) P-C4' energy: -52.807
flat angles C4'-P-C4' energy: -54.128
flat angles P-C4'-P energy: -37.258
tors. eta vs tors. theta energy: -38.782
Dist. restrs. and SS energy: 13.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -1260.568660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.568660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.329452 (E_RNA)
where:
Base-Base interactions energy: -875.596
where: short stacking energy: -351.068
Base-Backbone interact. energy: -1.682
local terms energy: -386.051408
where:
bonds (distance) C4'-P energy: -67.697
bonds (distance) P-C4' energy: -71.216
flat angles C4'-P-C4' energy: -73.524
flat angles P-C4'-P energy: -57.856
tors. eta vs tors. theta energy: -115.758
Dist. restrs. and SS energy: 2.761 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -1153.973859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.973859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.234646 (E_RNA)
where:
Base-Base interactions energy: -814.771
where: short stacking energy: -339.670
Base-Backbone interact. energy: -0.950
local terms energy: -340.513348
where:
bonds (distance) C4'-P energy: -61.716
bonds (distance) P-C4' energy: -62.913
flat angles C4'-P-C4' energy: -76.339
flat angles P-C4'-P energy: -48.806
tors. eta vs tors. theta energy: -90.740
Dist. restrs. and SS energy: 2.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -1109.629568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.629568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.099291 (E_RNA)
where:
Base-Base interactions energy: -765.116
where: short stacking energy: -309.107
Base-Backbone interact. energy: -1.825
local terms energy: -346.158710
where:
bonds (distance) C4'-P energy: -59.759
bonds (distance) P-C4' energy: -69.141
flat angles C4'-P-C4' energy: -69.053
flat angles P-C4'-P energy: -57.145
tors. eta vs tors. theta energy: -91.061
Dist. restrs. and SS energy: 3.470 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -1080.529590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.529590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.898606 (E_RNA)
where:
Base-Base interactions energy: -748.124
where: short stacking energy: -282.653
Base-Backbone interact. energy: -2.253
local terms energy: -333.521313
where:
bonds (distance) C4'-P energy: -66.598
bonds (distance) P-C4' energy: -65.483
flat angles C4'-P-C4' energy: -70.661
flat angles P-C4'-P energy: -49.222
tors. eta vs tors. theta energy: -81.557
Dist. restrs. and SS energy: 3.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -1004.092464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.092464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.471756 (E_RNA)
where:
Base-Base interactions energy: -725.514
where: short stacking energy: -284.661
Base-Backbone interact. energy: -1.528
local terms energy: -280.430156
where:
bonds (distance) C4'-P energy: -53.735
bonds (distance) P-C4' energy: -53.348
flat angles C4'-P-C4' energy: -60.496
flat angles P-C4'-P energy: -35.213
tors. eta vs tors. theta energy: -77.638
Dist. restrs. and SS energy: 3.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -941.464521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.464521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.457417 (E_RNA)
where:
Base-Base interactions energy: -635.937
where: short stacking energy: -259.527
Base-Backbone interact. energy: -1.838
local terms energy: -309.682065
where:
bonds (distance) C4'-P energy: -68.682
bonds (distance) P-C4' energy: -64.209
flat angles C4'-P-C4' energy: -65.331
flat angles P-C4'-P energy: -51.969
tors. eta vs tors. theta energy: -59.490
Dist. restrs. and SS energy: 5.993 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -969.114811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.114811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.614800 (E_RNA)
where:
Base-Base interactions energy: -685.730
where: short stacking energy: -259.636
Base-Backbone interact. energy: 0.924
local terms energy: -287.808534
where:
bonds (distance) C4'-P energy: -41.955
bonds (distance) P-C4' energy: -64.428
flat angles C4'-P-C4' energy: -69.186
flat angles P-C4'-P energy: -45.207
tors. eta vs tors. theta energy: -67.033
Dist. restrs. and SS energy: 3.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -915.782437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.782437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.250332 (E_RNA)
where:
Base-Base interactions energy: -635.215
where: short stacking energy: -275.257
Base-Backbone interact. energy: -0.091
local terms energy: -291.944275
where:
bonds (distance) C4'-P energy: -49.804
bonds (distance) P-C4' energy: -58.448
flat angles C4'-P-C4' energy: -59.162
flat angles P-C4'-P energy: -45.744
tors. eta vs tors. theta energy: -78.786
Dist. restrs. and SS energy: 11.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -902.989680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.989680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.131520 (E_RNA)
where:
Base-Base interactions energy: -628.656
where: short stacking energy: -252.795
Base-Backbone interact. energy: -0.826
local terms energy: -279.649684
where:
bonds (distance) C4'-P energy: -55.324
bonds (distance) P-C4' energy: -69.987
flat angles C4'-P-C4' energy: -59.856
flat angles P-C4'-P energy: -34.373
tors. eta vs tors. theta energy: -60.110
Dist. restrs. and SS energy: 6.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -803.746985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.746985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.341875 (E_RNA)
where:
Base-Base interactions energy: -552.766
where: short stacking energy: -223.473
Base-Backbone interact. energy: -1.326
local terms energy: -258.249775
where:
bonds (distance) C4'-P energy: -55.771
bonds (distance) P-C4' energy: -56.209
flat angles C4'-P-C4' energy: -53.422
flat angles P-C4'-P energy: -38.898
tors. eta vs tors. theta energy: -53.950
Dist. restrs. and SS energy: 8.595 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -1228.737956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.737956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.236477 (E_RNA)
where:
Base-Base interactions energy: -854.863
where: short stacking energy: -352.389
Base-Backbone interact. energy: 0.469
local terms energy: -377.842478
where:
bonds (distance) C4'-P energy: -68.832
bonds (distance) P-C4' energy: -72.160
flat angles C4'-P-C4' energy: -76.659
flat angles P-C4'-P energy: -57.706
tors. eta vs tors. theta energy: -102.485
Dist. restrs. and SS energy: 3.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -1164.647028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.647028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.687028 (E_RNA)
where:
Base-Base interactions energy: -802.413
where: short stacking energy: -326.518
Base-Backbone interact. energy: -0.767
local terms energy: -364.506500
where:
bonds (distance) C4'-P energy: -66.928
bonds (distance) P-C4' energy: -73.427
flat angles C4'-P-C4' energy: -80.951
flat angles P-C4'-P energy: -51.549
tors. eta vs tors. theta energy: -91.651
Dist. restrs. and SS energy: 3.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -1136.003550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.003550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.745489 (E_RNA)
where:
Base-Base interactions energy: -815.601
where: short stacking energy: -313.469
Base-Backbone interact. energy: -1.806
local terms energy: -322.337729
where:
bonds (distance) C4'-P energy: -54.945
bonds (distance) P-C4' energy: -67.741
flat angles C4'-P-C4' energy: -65.294
flat angles P-C4'-P energy: -50.237
tors. eta vs tors. theta energy: -84.120
Dist. restrs. and SS energy: 3.742 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -1092.218147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.218147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.774580 (E_RNA)
where:
Base-Base interactions energy: -747.231
where: short stacking energy: -297.044
Base-Backbone interact. energy: -0.154
local terms energy: -347.389484
where:
bonds (distance) C4'-P energy: -71.012
bonds (distance) P-C4' energy: -65.198
flat angles C4'-P-C4' energy: -72.427
flat angles P-C4'-P energy: -44.116
tors. eta vs tors. theta energy: -94.636
Dist. restrs. and SS energy: 2.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -1020.745288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.745288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.579186 (E_RNA)
where:
Base-Base interactions energy: -726.727
where: short stacking energy: -300.671
Base-Backbone interact. energy: 0.419
local terms energy: -297.271088
where:
bonds (distance) C4'-P energy: -53.172
bonds (distance) P-C4' energy: -62.439
flat angles C4'-P-C4' energy: -61.530
flat angles P-C4'-P energy: -48.355
tors. eta vs tors. theta energy: -71.775
Dist. restrs. and SS energy: 2.834 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -982.342912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.342912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.109630 (E_RNA)
where:
Base-Base interactions energy: -692.370
where: short stacking energy: -278.728
Base-Backbone interact. energy: -1.853
local terms energy: -291.886482
where:
bonds (distance) C4'-P energy: -59.388
bonds (distance) P-C4' energy: -62.341
flat angles C4'-P-C4' energy: -58.519
flat angles P-C4'-P energy: -43.390
tors. eta vs tors. theta energy: -68.248
Dist. restrs. and SS energy: 3.767 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -971.900402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.900402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.674883 (E_RNA)
where:
Base-Base interactions energy: -675.170
where: short stacking energy: -270.617
Base-Backbone interact. energy: -3.089
local terms energy: -297.415742
where:
bonds (distance) C4'-P energy: -62.520
bonds (distance) P-C4' energy: -57.586
flat angles C4'-P-C4' energy: -69.719
flat angles P-C4'-P energy: -38.543
tors. eta vs tors. theta energy: -69.049
Dist. restrs. and SS energy: 3.774 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -955.677211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.677211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.229173 (E_RNA)
where:
Base-Base interactions energy: -664.258
where: short stacking energy: -261.661
Base-Backbone interact. energy: -2.646
local terms energy: -294.325148
where:
bonds (distance) C4'-P energy: -58.788
bonds (distance) P-C4' energy: -55.283
flat angles C4'-P-C4' energy: -63.648
flat angles P-C4'-P energy: -45.662
tors. eta vs tors. theta energy: -70.945
Dist. restrs. and SS energy: 5.552 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -873.535680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.535680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.198643 (E_RNA)
where:
Base-Base interactions energy: -611.912
where: short stacking energy: -250.268
Base-Backbone interact. energy: 7.608
local terms energy: -276.894820
where:
bonds (distance) C4'-P energy: -61.262
bonds (distance) P-C4' energy: -61.617
flat angles C4'-P-C4' energy: -59.148
flat angles P-C4'-P energy: -33.706
tors. eta vs tors. theta energy: -61.162
Dist. restrs. and SS energy: 7.663 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -779.752535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.752535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.946259 (E_RNA)
where:
Base-Base interactions energy: -544.105
where: short stacking energy: -194.430
Base-Backbone interact. energy: -1.331
local terms energy: -243.510285
where:
bonds (distance) C4'-P energy: -44.693
bonds (distance) P-C4' energy: -57.198
flat angles C4'-P-C4' energy: -54.134
flat angles P-C4'-P energy: -41.113
tors. eta vs tors. theta energy: -46.372
Dist. restrs. and SS energy: 9.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -1243.137684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.137684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.223683 (E_RNA)
where:
Base-Base interactions energy: -851.667
where: short stacking energy: -347.361
Base-Backbone interact. energy: -1.717
local terms energy: -392.839236
where:
bonds (distance) C4'-P energy: -67.902
bonds (distance) P-C4' energy: -79.178
flat angles C4'-P-C4' energy: -78.000
flat angles P-C4'-P energy: -59.207
tors. eta vs tors. theta energy: -108.553
Dist. restrs. and SS energy: 3.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -1156.797750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.797750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.790148 (E_RNA)
where:
Base-Base interactions energy: -803.418
where: short stacking energy: -340.586
Base-Backbone interact. energy: -0.106
local terms energy: -358.265984
where:
bonds (distance) C4'-P energy: -69.731
bonds (distance) P-C4' energy: -65.111
flat angles C4'-P-C4' energy: -79.327
flat angles P-C4'-P energy: -49.675
tors. eta vs tors. theta energy: -94.422
Dist. restrs. and SS energy: 4.992 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -1127.799997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.799997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.582547 (E_RNA)
where:
Base-Base interactions energy: -778.672
where: short stacking energy: -321.412
Base-Backbone interact. energy: -0.932
local terms energy: -351.978645
where:
bonds (distance) C4'-P energy: -69.447
bonds (distance) P-C4' energy: -71.387
flat angles C4'-P-C4' energy: -70.857
flat angles P-C4'-P energy: -51.356
tors. eta vs tors. theta energy: -88.932
Dist. restrs. and SS energy: 3.783 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -1101.763156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.763156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.000802 (E_RNA)
where:
Base-Base interactions energy: -775.081
where: short stacking energy: -299.878
Base-Backbone interact. energy: -3.650
local terms energy: -326.269850
where:
bonds (distance) C4'-P energy: -64.082
bonds (distance) P-C4' energy: -57.428
flat angles C4'-P-C4' energy: -67.160
flat angles P-C4'-P energy: -43.178
tors. eta vs tors. theta energy: -94.422
Dist. restrs. and SS energy: 3.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -1010.957390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.957390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.223424 (E_RNA)
where:
Base-Base interactions energy: -705.171
where: short stacking energy: -275.696
Base-Backbone interact. energy: 2.503
local terms energy: -311.555139
where:
bonds (distance) C4'-P energy: -65.295
bonds (distance) P-C4' energy: -60.314
flat angles C4'-P-C4' energy: -69.048
flat angles P-C4'-P energy: -44.702
tors. eta vs tors. theta energy: -72.195
Dist. restrs. and SS energy: 3.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -1039.934821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.934821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.538828 (E_RNA)
where:
Base-Base interactions energy: -741.666
where: short stacking energy: -299.973
Base-Backbone interact. energy: -0.118
local terms energy: -301.755505
where:
bonds (distance) C4'-P energy: -54.096
bonds (distance) P-C4' energy: -46.717
flat angles C4'-P-C4' energy: -72.124
flat angles P-C4'-P energy: -45.041
tors. eta vs tors. theta energy: -83.777
Dist. restrs. and SS energy: 3.604 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -941.794854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.794854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.038738 (E_RNA)
where:
Base-Base interactions energy: -663.925
where: short stacking energy: -272.969
Base-Backbone interact. energy: -3.208
local terms energy: -277.905777
where:
bonds (distance) C4'-P energy: -52.528
bonds (distance) P-C4' energy: -49.252
flat angles C4'-P-C4' energy: -66.067
flat angles P-C4'-P energy: -44.860
tors. eta vs tors. theta energy: -65.199
Dist. restrs. and SS energy: 3.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -922.160971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.160971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.744156 (E_RNA)
where:
Base-Base interactions energy: -663.634
where: short stacking energy: -263.636
Base-Backbone interact. energy: -0.860
local terms energy: -264.249808
where:
bonds (distance) C4'-P energy: -58.403
bonds (distance) P-C4' energy: -53.587
flat angles C4'-P-C4' energy: -45.486
flat angles P-C4'-P energy: -37.008
tors. eta vs tors. theta energy: -69.767
Dist. restrs. and SS energy: 6.583 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -885.834923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.834923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.011200 (E_RNA)
where:
Base-Base interactions energy: -614.951
where: short stacking energy: -247.618
Base-Backbone interact. energy: -1.747
local terms energy: -274.313265
where:
bonds (distance) C4'-P energy: -52.842
bonds (distance) P-C4' energy: -59.499
flat angles C4'-P-C4' energy: -57.361
flat angles P-C4'-P energy: -40.121
tors. eta vs tors. theta energy: -64.490
Dist. restrs. and SS energy: 5.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -791.122807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.122807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.002349 (E_RNA)
where:
Base-Base interactions energy: -537.644
where: short stacking energy: -219.333
Base-Backbone interact. energy: 0.371
local terms energy: -262.729139
where:
bonds (distance) C4'-P energy: -58.359
bonds (distance) P-C4' energy: -57.034
flat angles C4'-P-C4' energy: -52.483
flat angles P-C4'-P energy: -38.691
tors. eta vs tors. theta energy: -56.162
Dist. restrs. and SS energy: 8.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -1258.360052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.360052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.645525 (E_RNA)
where:
Base-Base interactions energy: -885.547
where: short stacking energy: -377.190
Base-Backbone interact. energy: -2.766
local terms energy: -373.331885
where:
bonds (distance) C4'-P energy: -67.379
bonds (distance) P-C4' energy: -73.375
flat angles C4'-P-C4' energy: -73.913
flat angles P-C4'-P energy: -51.069
tors. eta vs tors. theta energy: -107.596
Dist. restrs. and SS energy: 3.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -1175.627400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.627400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.734949 (E_RNA)
where:
Base-Base interactions energy: -809.569
where: short stacking energy: -336.593
Base-Backbone interact. energy: -2.251
local terms energy: -366.914332
where:
bonds (distance) C4'-P energy: -58.995
bonds (distance) P-C4' energy: -80.742
flat angles C4'-P-C4' energy: -80.051
flat angles P-C4'-P energy: -58.241
tors. eta vs tors. theta energy: -88.885
Dist. restrs. and SS energy: 3.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -1140.045292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.045292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.058805 (E_RNA)
where:
Base-Base interactions energy: -797.979
where: short stacking energy: -325.163
Base-Backbone interact. energy: -1.917
local terms energy: -343.162929
where:
bonds (distance) C4'-P energy: -65.086
bonds (distance) P-C4' energy: -62.558
flat angles C4'-P-C4' energy: -70.115
flat angles P-C4'-P energy: -53.732
tors. eta vs tors. theta energy: -91.673
Dist. restrs. and SS energy: 3.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -1099.857896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.857896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.737210 (E_RNA)
where:
Base-Base interactions energy: -766.085
where: short stacking energy: -288.403
Base-Backbone interact. energy: -1.143
local terms energy: -336.509424
where:
bonds (distance) C4'-P energy: -68.533
bonds (distance) P-C4' energy: -62.892
flat angles C4'-P-C4' energy: -74.223
flat angles P-C4'-P energy: -45.694
tors. eta vs tors. theta energy: -85.167
Dist. restrs. and SS energy: 3.879 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -1071.047799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.047799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.493086 (E_RNA)
where:
Base-Base interactions energy: -719.285
where: short stacking energy: -288.993
Base-Backbone interact. energy: -4.619
local terms energy: -350.589199
where:
bonds (distance) C4'-P energy: -68.323
bonds (distance) P-C4' energy: -66.355
flat angles C4'-P-C4' energy: -73.776
flat angles P-C4'-P energy: -58.029
tors. eta vs tors. theta energy: -84.106
Dist. restrs. and SS energy: 3.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -989.789867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.789867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.095433 (E_RNA)
where:
Base-Base interactions energy: -684.617
where: short stacking energy: -271.599
Base-Backbone interact. energy: 1.990
local terms energy: -310.468166
where:
bonds (distance) C4'-P energy: -55.856
bonds (distance) P-C4' energy: -56.603
flat angles C4'-P-C4' energy: -72.433
flat angles P-C4'-P energy: -50.859
tors. eta vs tors. theta energy: -74.716
Dist. restrs. and SS energy: 3.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -919.787092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.787092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.150807 (E_RNA)
where:
Base-Base interactions energy: -637.338
where: short stacking energy: -250.680
Base-Backbone interact. energy: 0.167
local terms energy: -285.978975
where:
bonds (distance) C4'-P energy: -58.753
bonds (distance) P-C4' energy: -53.189
flat angles C4'-P-C4' energy: -69.883
flat angles P-C4'-P energy: -43.517
tors. eta vs tors. theta energy: -60.637
Dist. restrs. and SS energy: 3.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -892.428333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.428333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.663846 (E_RNA)
where:
Base-Base interactions energy: -619.840
where: short stacking energy: -241.319
Base-Backbone interact. energy: 1.740
local terms energy: -285.564717
where:
bonds (distance) C4'-P energy: -61.628
bonds (distance) P-C4' energy: -65.647
flat angles C4'-P-C4' energy: -60.777
flat angles P-C4'-P energy: -41.541
tors. eta vs tors. theta energy: -55.972
Dist. restrs. and SS energy: 11.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -920.033592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.033592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.568125 (E_RNA)
where:
Base-Base interactions energy: -645.018
where: short stacking energy: -251.715
Base-Backbone interact. energy: -0.550
local terms energy: -279.000457
where:
bonds (distance) C4'-P energy: -54.361
bonds (distance) P-C4' energy: -54.192
flat angles C4'-P-C4' energy: -64.211
flat angles P-C4'-P energy: -36.320
tors. eta vs tors. theta energy: -69.916
Dist. restrs. and SS energy: 4.535 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -767.906004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.906004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.495017 (E_RNA)
where:
Base-Base interactions energy: -527.478
where: short stacking energy: -212.684
Base-Backbone interact. energy: -1.583
local terms energy: -254.434745
where:
bonds (distance) C4'-P energy: -53.049
bonds (distance) P-C4' energy: -68.645
flat angles C4'-P-C4' energy: -57.249
flat angles P-C4'-P energy: -38.739
tors. eta vs tors. theta energy: -36.753
Dist. restrs. and SS energy: 15.589 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -1239.105031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.105031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.103800 (E_RNA)
where:
Base-Base interactions energy: -877.271
where: short stacking energy: -355.717
Base-Backbone interact. energy: -2.083
local terms energy: -362.750036
where:
bonds (distance) C4'-P energy: -61.427
bonds (distance) P-C4' energy: -65.924
flat angles C4'-P-C4' energy: -74.470
flat angles P-C4'-P energy: -56.318
tors. eta vs tors. theta energy: -104.611
Dist. restrs. and SS energy: 2.999 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -1163.120024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.120024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.742719 (E_RNA)
where:
Base-Base interactions energy: -831.188
where: short stacking energy: -342.140
Base-Backbone interact. energy: -1.985
local terms energy: -335.569771
where:
bonds (distance) C4'-P energy: -58.021
bonds (distance) P-C4' energy: -65.262
flat angles C4'-P-C4' energy: -78.467
flat angles P-C4'-P energy: -38.179
tors. eta vs tors. theta energy: -95.642
Dist. restrs. and SS energy: 5.623 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -1140.023313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.023313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.921984 (E_RNA)
where:
Base-Base interactions energy: -799.184
where: short stacking energy: -331.646
Base-Backbone interact. energy: -1.792
local terms energy: -341.945356
where:
bonds (distance) C4'-P energy: -71.296
bonds (distance) P-C4' energy: -62.731
flat angles C4'-P-C4' energy: -77.479
flat angles P-C4'-P energy: -32.598
tors. eta vs tors. theta energy: -97.841
Dist. restrs. and SS energy: 2.899 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -1090.495022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.495022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.644940 (E_RNA)
where:
Base-Base interactions energy: -752.322
where: short stacking energy: -306.601
Base-Backbone interact. energy: -1.876
local terms energy: -340.447167
where:
bonds (distance) C4'-P energy: -67.816
bonds (distance) P-C4' energy: -65.831
flat angles C4'-P-C4' energy: -75.536
flat angles P-C4'-P energy: -51.075
tors. eta vs tors. theta energy: -80.190
Dist. restrs. and SS energy: 4.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -1028.621119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.621119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.394811 (E_RNA)
where:
Base-Base interactions energy: -703.760
where: short stacking energy: -294.481
Base-Backbone interact. energy: -2.737
local terms energy: -326.897279
where:
bonds (distance) C4'-P energy: -70.585
bonds (distance) P-C4' energy: -63.194
flat angles C4'-P-C4' energy: -59.853
flat angles P-C4'-P energy: -43.601
tors. eta vs tors. theta energy: -89.665
Dist. restrs. and SS energy: 4.774 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -971.095634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.095634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.408877 (E_RNA)
where:
Base-Base interactions energy: -678.677
where: short stacking energy: -273.863
Base-Backbone interact. energy: -1.785
local terms energy: -296.946783
where:
bonds (distance) C4'-P energy: -65.215
bonds (distance) P-C4' energy: -70.690
flat angles C4'-P-C4' energy: -59.560
flat angles P-C4'-P energy: -34.320
tors. eta vs tors. theta energy: -67.162
Dist. restrs. and SS energy: 6.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -930.006689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.006689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.523254 (E_RNA)
where:
Base-Base interactions energy: -643.259
where: short stacking energy: -244.036
Base-Backbone interact. energy: 0.780
local terms energy: -291.044593
where:
bonds (distance) C4'-P energy: -57.107
bonds (distance) P-C4' energy: -57.988
flat angles C4'-P-C4' energy: -61.179
flat angles P-C4'-P energy: -44.852
tors. eta vs tors. theta energy: -69.917
Dist. restrs. and SS energy: 3.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -925.013039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.013039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.054327 (E_RNA)
where:
Base-Base interactions energy: -650.196
where: short stacking energy: -243.832
Base-Backbone interact. energy: -1.530
local terms energy: -277.327784
where:
bonds (distance) C4'-P energy: -53.983
bonds (distance) P-C4' energy: -50.496
flat angles C4'-P-C4' energy: -66.426
flat angles P-C4'-P energy: -46.732
tors. eta vs tors. theta energy: -59.691
Dist. restrs. and SS energy: 4.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -884.804943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.804943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.365124 (E_RNA)
where:
Base-Base interactions energy: -628.456
where: short stacking energy: -242.800
Base-Backbone interact. energy: -1.410
local terms energy: -263.499636
where:
bonds (distance) C4'-P energy: -57.913
bonds (distance) P-C4' energy: -46.051
flat angles C4'-P-C4' energy: -61.793
flat angles P-C4'-P energy: -44.384
tors. eta vs tors. theta energy: -53.359
Dist. restrs. and SS energy: 8.560 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -765.530874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.530874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.674509 (E_RNA)
where:
Base-Base interactions energy: -535.702
where: short stacking energy: -204.155
Base-Backbone interact. energy: 0.644
local terms energy: -241.616372
where:
bonds (distance) C4'-P energy: -55.957
bonds (distance) P-C4' energy: -58.869
flat angles C4'-P-C4' energy: -58.248
flat angles P-C4'-P energy: -25.402
tors. eta vs tors. theta energy: -43.141
Dist. restrs. and SS energy: 11.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -1226.434289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.434289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.444355 (E_RNA)
where:
Base-Base interactions energy: -853.941
where: short stacking energy: -359.829
Base-Backbone interact. energy: 0.392
local terms energy: -375.895057
where:
bonds (distance) C4'-P energy: -72.359
bonds (distance) P-C4' energy: -67.613
flat angles C4'-P-C4' energy: -79.196
flat angles P-C4'-P energy: -56.399
tors. eta vs tors. theta energy: -100.329
Dist. restrs. and SS energy: 3.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -1166.794456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.794456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.841431 (E_RNA)
where:
Base-Base interactions energy: -811.748
where: short stacking energy: -325.968
Base-Backbone interact. energy: -1.948
local terms energy: -356.145053
where:
bonds (distance) C4'-P energy: -65.344
bonds (distance) P-C4' energy: -64.771
flat angles C4'-P-C4' energy: -80.495
flat angles P-C4'-P energy: -51.149
tors. eta vs tors. theta energy: -94.386
Dist. restrs. and SS energy: 3.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -1120.849978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.849978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.070961 (E_RNA)
where:
Base-Base interactions energy: -777.268
where: short stacking energy: -325.386
Base-Backbone interact. energy: -1.039
local terms energy: -345.763332
where:
bonds (distance) C4'-P energy: -68.784
bonds (distance) P-C4' energy: -59.082
flat angles C4'-P-C4' energy: -68.371
flat angles P-C4'-P energy: -58.135
tors. eta vs tors. theta energy: -91.392
Dist. restrs. and SS energy: 3.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -1131.635427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.635427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.609666 (E_RNA)
where:
Base-Base interactions energy: -794.638
where: short stacking energy: -313.613
Base-Backbone interact. energy: -1.919
local terms energy: -338.053509
where:
bonds (distance) C4'-P energy: -60.383
bonds (distance) P-C4' energy: -63.449
flat angles C4'-P-C4' energy: -71.968
flat angles P-C4'-P energy: -58.031
tors. eta vs tors. theta energy: -84.223
Dist. restrs. and SS energy: 2.974 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -1038.858617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.858617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.960160 (E_RNA)
where:
Base-Base interactions energy: -732.717
where: short stacking energy: -291.688
Base-Backbone interact. energy: -0.889
local terms energy: -308.353500
where:
bonds (distance) C4'-P energy: -60.649
bonds (distance) P-C4' energy: -56.555
flat angles C4'-P-C4' energy: -68.215
flat angles P-C4'-P energy: -49.901
tors. eta vs tors. theta energy: -73.033
Dist. restrs. and SS energy: 3.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -973.636842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.636842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.736923 (E_RNA)
where:
Base-Base interactions energy: -675.037
where: short stacking energy: -284.075
Base-Backbone interact. energy: -1.826
local terms energy: -304.873328
where:
bonds (distance) C4'-P energy: -56.988
bonds (distance) P-C4' energy: -64.786
flat angles C4'-P-C4' energy: -71.680
flat angles P-C4'-P energy: -45.794
tors. eta vs tors. theta energy: -65.626
Dist. restrs. and SS energy: 8.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -930.164453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.164453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.916106 (E_RNA)
where:
Base-Base interactions energy: -660.702
where: short stacking energy: -285.366
Base-Backbone interact. energy: -0.083
local terms energy: -274.131036
where:
bonds (distance) C4'-P energy: -51.312
bonds (distance) P-C4' energy: -53.402
flat angles C4'-P-C4' energy: -68.141
flat angles P-C4'-P energy: -32.913
tors. eta vs tors. theta energy: -68.362
Dist. restrs. and SS energy: 4.752 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -908.748746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.748746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.063272 (E_RNA)
where:
Base-Base interactions energy: -662.838
where: short stacking energy: -263.700
Base-Backbone interact. energy: -1.257
local terms energy: -248.968201
where:
bonds (distance) C4'-P energy: -34.268
bonds (distance) P-C4' energy: -58.744
flat angles C4'-P-C4' energy: -60.427
flat angles P-C4'-P energy: -31.567
tors. eta vs tors. theta energy: -63.963
Dist. restrs. and SS energy: 4.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -865.794070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.794070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.367605 (E_RNA)
where:
Base-Base interactions energy: -606.832
where: short stacking energy: -240.117
Base-Backbone interact. energy: -0.123
local terms energy: -266.412545
where:
bonds (distance) C4'-P energy: -56.043
bonds (distance) P-C4' energy: -51.482
flat angles C4'-P-C4' energy: -59.204
flat angles P-C4'-P energy: -45.697
tors. eta vs tors. theta energy: -53.986
Dist. restrs. and SS energy: 7.574 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -752.289634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.289634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.098027 (E_RNA)
where:
Base-Base interactions energy: -508.884
where: short stacking energy: -216.713
Base-Backbone interact. energy: -2.878
local terms energy: -256.336328
where:
bonds (distance) C4'-P energy: -51.030
bonds (distance) P-C4' energy: -53.250
flat angles C4'-P-C4' energy: -58.666
flat angles P-C4'-P energy: -43.285
tors. eta vs tors. theta energy: -50.106
Dist. restrs. and SS energy: 15.808 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -1239.571619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.571619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.665113 (E_RNA)
where:
Base-Base interactions energy: -876.696
where: short stacking energy: -349.577
Base-Backbone interact. energy: -1.011
local terms energy: -364.957976
where:
bonds (distance) C4'-P energy: -66.886
bonds (distance) P-C4' energy: -66.232
flat angles C4'-P-C4' energy: -83.238
flat angles P-C4'-P energy: -52.326
tors. eta vs tors. theta energy: -96.276
Dist. restrs. and SS energy: 3.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -1136.662346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.662346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.259273 (E_RNA)
where:
Base-Base interactions energy: -781.328
where: short stacking energy: -337.329
Base-Backbone interact. energy: -0.953
local terms energy: -360.978271
where:
bonds (distance) C4'-P energy: -70.039
bonds (distance) P-C4' energy: -76.122
flat angles C4'-P-C4' energy: -73.889
flat angles P-C4'-P energy: -45.516
tors. eta vs tors. theta energy: -95.413
Dist. restrs. and SS energy: 6.597 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -1125.132792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.132792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.865538 (E_RNA)
where:
Base-Base interactions energy: -793.825
where: short stacking energy: -327.575
Base-Backbone interact. energy: -0.079
local terms energy: -334.961616
where:
bonds (distance) C4'-P energy: -63.298
bonds (distance) P-C4' energy: -55.886
flat angles C4'-P-C4' energy: -76.327
flat angles P-C4'-P energy: -47.379
tors. eta vs tors. theta energy: -92.073
Dist. restrs. and SS energy: 3.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -1099.914267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.914267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.034083 (E_RNA)
where:
Base-Base interactions energy: -780.975
where: short stacking energy: -305.571
Base-Backbone interact. energy: -1.961
local terms energy: -320.097838
where:
bonds (distance) C4'-P energy: -54.808
bonds (distance) P-C4' energy: -70.327
flat angles C4'-P-C4' energy: -65.159
flat angles P-C4'-P energy: -48.479
tors. eta vs tors. theta energy: -81.325
Dist. restrs. and SS energy: 3.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -1054.768377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.768377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.091526 (E_RNA)
where:
Base-Base interactions energy: -731.305
where: short stacking energy: -304.253
Base-Backbone interact. energy: -1.083
local terms energy: -325.703595
where:
bonds (distance) C4'-P energy: -55.321
bonds (distance) P-C4' energy: -62.889
flat angles C4'-P-C4' energy: -68.669
flat angles P-C4'-P energy: -50.775
tors. eta vs tors. theta energy: -88.050
Dist. restrs. and SS energy: 3.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -978.582829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.582829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.770697 (E_RNA)
where:
Base-Base interactions energy: -674.050
where: short stacking energy: -264.549
Base-Backbone interact. energy: 0.761
local terms energy: -308.481939
where:
bonds (distance) C4'-P energy: -65.469
bonds (distance) P-C4' energy: -62.928
flat angles C4'-P-C4' energy: -63.403
flat angles P-C4'-P energy: -45.792
tors. eta vs tors. theta energy: -70.889
Dist. restrs. and SS energy: 3.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -933.348881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.348881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.304556 (E_RNA)
where:
Base-Base interactions energy: -650.839
where: short stacking energy: -264.517
Base-Backbone interact. energy: -1.809
local terms energy: -288.656659
where:
bonds (distance) C4'-P energy: -43.560
bonds (distance) P-C4' energy: -68.120
flat angles C4'-P-C4' energy: -68.097
flat angles P-C4'-P energy: -42.898
tors. eta vs tors. theta energy: -65.982
Dist. restrs. and SS energy: 7.956 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -891.461710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.461710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.641057 (E_RNA)
where:
Base-Base interactions energy: -619.551
where: short stacking energy: -253.875
Base-Backbone interact. energy: -1.099
local terms energy: -279.991156
where:
bonds (distance) C4'-P energy: -55.334
bonds (distance) P-C4' energy: -48.965
flat angles C4'-P-C4' energy: -62.321
flat angles P-C4'-P energy: -49.841
tors. eta vs tors. theta energy: -63.530
Dist. restrs. and SS energy: 9.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -871.429020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.429020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.621621 (E_RNA)
where:
Base-Base interactions energy: -600.011
where: short stacking energy: -236.086
Base-Backbone interact. energy: -1.078
local terms energy: -281.532735
where:
bonds (distance) C4'-P energy: -59.277
bonds (distance) P-C4' energy: -58.412
flat angles C4'-P-C4' energy: -56.990
flat angles P-C4'-P energy: -43.580
tors. eta vs tors. theta energy: -63.275
Dist. restrs. and SS energy: 11.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -782.385056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.385056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.998147 (E_RNA)
where:
Base-Base interactions energy: -539.173
where: short stacking energy: -228.593
Base-Backbone interact. energy: -0.699
local terms energy: -253.126346
where:
bonds (distance) C4'-P energy: -51.073
bonds (distance) P-C4' energy: -59.259
flat angles C4'-P-C4' energy: -54.946
flat angles P-C4'-P energy: -37.574
tors. eta vs tors. theta energy: -50.275
Dist. restrs. and SS energy: 10.613 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -1241.241062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.241062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.064993 (E_RNA)
where:
Base-Base interactions energy: -874.336
where: short stacking energy: -348.035
Base-Backbone interact. energy: -1.243
local terms energy: -368.485889
where:
bonds (distance) C4'-P energy: -67.188
bonds (distance) P-C4' energy: -66.917
flat angles C4'-P-C4' energy: -83.012
flat angles P-C4'-P energy: -57.131
tors. eta vs tors. theta energy: -94.237
Dist. restrs. and SS energy: 2.824 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -1158.766868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.766868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.904544 (E_RNA)
where:
Base-Base interactions energy: -802.354
where: short stacking energy: -322.094
Base-Backbone interact. energy: -3.876
local terms energy: -356.674960
where:
bonds (distance) C4'-P energy: -69.303
bonds (distance) P-C4' energy: -67.360
flat angles C4'-P-C4' energy: -70.597
flat angles P-C4'-P energy: -49.820
tors. eta vs tors. theta energy: -99.594
Dist. restrs. and SS energy: 4.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -1150.831864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.831864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.914999 (E_RNA)
where:
Base-Base interactions energy: -807.189
where: short stacking energy: -307.635
Base-Backbone interact. energy: -1.526
local terms energy: -345.199975
where:
bonds (distance) C4'-P energy: -61.477
bonds (distance) P-C4' energy: -77.766
flat angles C4'-P-C4' energy: -68.201
flat angles P-C4'-P energy: -50.940
tors. eta vs tors. theta energy: -86.816
Dist. restrs. and SS energy: 3.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -1110.169490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.169490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.340018 (E_RNA)
where:
Base-Base interactions energy: -775.607
where: short stacking energy: -302.393
Base-Backbone interact. energy: 1.752
local terms energy: -339.485033
where:
bonds (distance) C4'-P energy: -65.572
bonds (distance) P-C4' energy: -62.510
flat angles C4'-P-C4' energy: -70.872
flat angles P-C4'-P energy: -55.294
tors. eta vs tors. theta energy: -85.237
Dist. restrs. and SS energy: 3.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -1043.230598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.230598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.789680 (E_RNA)
where:
Base-Base interactions energy: -744.411
where: short stacking energy: -315.964
Base-Backbone interact. energy: -0.505
local terms energy: -301.873408
where:
bonds (distance) C4'-P energy: -54.085
bonds (distance) P-C4' energy: -60.806
flat angles C4'-P-C4' energy: -57.975
flat angles P-C4'-P energy: -42.645
tors. eta vs tors. theta energy: -86.364
Dist. restrs. and SS energy: 3.559 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -984.597136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.597136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.560859 (E_RNA)
where:
Base-Base interactions energy: -681.134
where: short stacking energy: -254.554
Base-Backbone interact. energy: -1.704
local terms energy: -305.723402
where:
bonds (distance) C4'-P energy: -62.080
bonds (distance) P-C4' energy: -61.614
flat angles C4'-P-C4' energy: -60.964
flat angles P-C4'-P energy: -47.976
tors. eta vs tors. theta energy: -73.089
Dist. restrs. and SS energy: 3.964 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -911.394880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.394880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.666098 (E_RNA)
where:
Base-Base interactions energy: -625.125
where: short stacking energy: -260.649
Base-Backbone interact. energy: -1.841
local terms energy: -288.699804
where:
bonds (distance) C4'-P energy: -54.381
bonds (distance) P-C4' energy: -54.366
flat angles C4'-P-C4' energy: -69.307
flat angles P-C4'-P energy: -43.720
tors. eta vs tors. theta energy: -66.925
Dist. restrs. and SS energy: 4.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -907.144180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.144180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.754271 (E_RNA)
where:
Base-Base interactions energy: -643.934
where: short stacking energy: -251.021
Base-Backbone interact. energy: -1.163
local terms energy: -268.657220
where:
bonds (distance) C4'-P energy: -47.920
bonds (distance) P-C4' energy: -62.332
flat angles C4'-P-C4' energy: -53.965
flat angles P-C4'-P energy: -38.923
tors. eta vs tors. theta energy: -65.516
Dist. restrs. and SS energy: 6.610 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -908.887745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.887745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.805796 (E_RNA)
where:
Base-Base interactions energy: -656.453
where: short stacking energy: -253.696
Base-Backbone interact. energy: -0.524
local terms energy: -256.828162
where:
bonds (distance) C4'-P energy: -57.689
bonds (distance) P-C4' energy: -44.158
flat angles C4'-P-C4' energy: -55.990
flat angles P-C4'-P energy: -40.084
tors. eta vs tors. theta energy: -58.907
Dist. restrs. and SS energy: 4.918 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -771.865067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.865067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.388593 (E_RNA)
where:
Base-Base interactions energy: -532.052
where: short stacking energy: -213.578
Base-Backbone interact. energy: -1.716
local terms energy: -248.621009
where:
bonds (distance) C4'-P energy: -44.392
bonds (distance) P-C4' energy: -53.015
flat angles C4'-P-C4' energy: -65.213
flat angles P-C4'-P energy: -45.331
tors. eta vs tors. theta energy: -40.671
Dist. restrs. and SS energy: 10.524 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -1240.010452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.010452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.209649 (E_RNA)
where:
Base-Base interactions energy: -869.605
where: short stacking energy: -332.151
Base-Backbone interact. energy: -4.810
local terms energy: -368.794323
where:
bonds (distance) C4'-P energy: -69.015
bonds (distance) P-C4' energy: -76.871
flat angles C4'-P-C4' energy: -73.975
flat angles P-C4'-P energy: -48.239
tors. eta vs tors. theta energy: -100.694
Dist. restrs. and SS energy: 3.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -1172.671694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.671694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.379991 (E_RNA)
where:
Base-Base interactions energy: -837.499
where: short stacking energy: -326.461
Base-Backbone interact. energy: -1.356
local terms energy: -336.524609
where:
bonds (distance) C4'-P energy: -56.104
bonds (distance) P-C4' energy: -65.418
flat angles C4'-P-C4' energy: -71.438
flat angles P-C4'-P energy: -48.112
tors. eta vs tors. theta energy: -95.452
Dist. restrs. and SS energy: 2.708 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -1129.035054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.035054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.965797 (E_RNA)
where:
Base-Base interactions energy: -782.728
where: short stacking energy: -323.658
Base-Backbone interact. energy: -1.617
local terms energy: -347.621048
where:
bonds (distance) C4'-P energy: -65.244
bonds (distance) P-C4' energy: -70.053
flat angles C4'-P-C4' energy: -73.500
flat angles P-C4'-P energy: -49.856
tors. eta vs tors. theta energy: -88.969
Dist. restrs. and SS energy: 2.931 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -1089.949848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.949848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.776775 (E_RNA)
where:
Base-Base interactions energy: -744.157
where: short stacking energy: -302.866
Base-Backbone interact. energy: -2.176
local terms energy: -348.443288
where:
bonds (distance) C4'-P energy: -71.344
bonds (distance) P-C4' energy: -70.785
flat angles C4'-P-C4' energy: -64.233
flat angles P-C4'-P energy: -54.115
tors. eta vs tors. theta energy: -87.967
Dist. restrs. and SS energy: 4.827 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -1003.964269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.964269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.052661 (E_RNA)
where:
Base-Base interactions energy: -702.766
where: short stacking energy: -297.328
Base-Backbone interact. energy: -2.179
local terms energy: -303.107705
where:
bonds (distance) C4'-P energy: -50.049
bonds (distance) P-C4' energy: -56.211
flat angles C4'-P-C4' energy: -69.808
flat angles P-C4'-P energy: -47.528
tors. eta vs tors. theta energy: -79.512
Dist. restrs. and SS energy: 4.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -964.626243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.626243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.927820 (E_RNA)
where:
Base-Base interactions energy: -664.606
where: short stacking energy: -275.729
Base-Backbone interact. energy: -1.504
local terms energy: -308.817902
where:
bonds (distance) C4'-P energy: -52.396
bonds (distance) P-C4' energy: -64.813
flat angles C4'-P-C4' energy: -65.060
flat angles P-C4'-P energy: -55.645
tors. eta vs tors. theta energy: -70.905
Dist. restrs. and SS energy: 10.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -943.864720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.864720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.626131 (E_RNA)
where:
Base-Base interactions energy: -659.630
where: short stacking energy: -258.414
Base-Backbone interact. energy: -2.375
local terms energy: -292.620541
where:
bonds (distance) C4'-P energy: -53.278
bonds (distance) P-C4' energy: -66.314
flat angles C4'-P-C4' energy: -62.387
flat angles P-C4'-P energy: -49.666
tors. eta vs tors. theta energy: -60.975
Dist. restrs. and SS energy: 10.761 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -871.525539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.525539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.905139 (E_RNA)
where:
Base-Base interactions energy: -601.829
where: short stacking energy: -238.692
Base-Backbone interact. energy: -2.129
local terms energy: -274.947008
where:
bonds (distance) C4'-P energy: -60.058
bonds (distance) P-C4' energy: -60.425
flat angles C4'-P-C4' energy: -59.207
flat angles P-C4'-P energy: -43.976
tors. eta vs tors. theta energy: -51.280
Dist. restrs. and SS energy: 7.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -871.782647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.782647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.386863 (E_RNA)
where:
Base-Base interactions energy: -607.361
where: short stacking energy: -233.601
Base-Backbone interact. energy: 5.348
local terms energy: -274.373615
where:
bonds (distance) C4'-P energy: -49.974
bonds (distance) P-C4' energy: -58.489
flat angles C4'-P-C4' energy: -62.688
flat angles P-C4'-P energy: -47.370
tors. eta vs tors. theta energy: -55.853
Dist. restrs. and SS energy: 4.604 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -757.301518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.301518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.953684 (E_RNA)
where:
Base-Base interactions energy: -531.469
where: short stacking energy: -233.526
Base-Backbone interact. energy: 1.137
local terms energy: -251.622519
where:
bonds (distance) C4'-P energy: -60.878
bonds (distance) P-C4' energy: -51.647
flat angles C4'-P-C4' energy: -57.826
flat angles P-C4'-P energy: -32.501
tors. eta vs tors. theta energy: -48.770
Dist. restrs. and SS energy: 24.652 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -1225.602706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.602706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.009857 (E_RNA)
where:
Base-Base interactions energy: -855.292
where: short stacking energy: -342.848
Base-Backbone interact. energy: -0.739
local terms energy: -372.978422
where:
bonds (distance) C4'-P energy: -80.213
bonds (distance) P-C4' energy: -68.690
flat angles C4'-P-C4' energy: -73.456
flat angles P-C4'-P energy: -52.766
tors. eta vs tors. theta energy: -97.853
Dist. restrs. and SS energy: 3.407 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -1165.229620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.229620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.665847 (E_RNA)
where:
Base-Base interactions energy: -826.037
where: short stacking energy: -311.215
Base-Backbone interact. energy: -1.762
local terms energy: -340.866153
where:
bonds (distance) C4'-P energy: -57.670
bonds (distance) P-C4' energy: -77.380
flat angles C4'-P-C4' energy: -67.462
flat angles P-C4'-P energy: -55.340
tors. eta vs tors. theta energy: -83.013
Dist. restrs. and SS energy: 3.436 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -1128.393273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.393273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.529047 (E_RNA)
where:
Base-Base interactions energy: -786.453
where: short stacking energy: -321.047
Base-Backbone interact. energy: 2.694
local terms energy: -347.769670
where:
bonds (distance) C4'-P energy: -59.575
bonds (distance) P-C4' energy: -60.369
flat angles C4'-P-C4' energy: -76.990
flat angles P-C4'-P energy: -52.593
tors. eta vs tors. theta energy: -98.242
Dist. restrs. and SS energy: 3.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -1071.615720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.615720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.033842 (E_RNA)
where:
Base-Base interactions energy: -737.651
where: short stacking energy: -299.530
Base-Backbone interact. energy: -0.373
local terms energy: -337.010401
where:
bonds (distance) C4'-P energy: -66.731
bonds (distance) P-C4' energy: -69.281
flat angles C4'-P-C4' energy: -77.264
flat angles P-C4'-P energy: -43.277
tors. eta vs tors. theta energy: -80.458
Dist. restrs. and SS energy: 3.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -1019.609493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.609493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.743633 (E_RNA)
where:
Base-Base interactions energy: -696.126
where: short stacking energy: -276.086
Base-Backbone interact. energy: 0.242
local terms energy: -326.860008
where:
bonds (distance) C4'-P energy: -72.964
bonds (distance) P-C4' energy: -56.456
flat angles C4'-P-C4' energy: -69.145
flat angles P-C4'-P energy: -49.984
tors. eta vs tors. theta energy: -78.311
Dist. restrs. and SS energy: 3.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -936.636026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.636026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.759996 (E_RNA)
where:
Base-Base interactions energy: -655.065
where: short stacking energy: -270.129
Base-Backbone interact. energy: -2.506
local terms energy: -284.188815
where:
bonds (distance) C4'-P energy: -59.375
bonds (distance) P-C4' energy: -71.673
flat angles C4'-P-C4' energy: -56.848
flat angles P-C4'-P energy: -37.469
tors. eta vs tors. theta energy: -58.824
Dist. restrs. and SS energy: 5.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -955.981551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.981551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.545495 (E_RNA)
where:
Base-Base interactions energy: -682.799
where: short stacking energy: -267.878
Base-Backbone interact. energy: 0.518
local terms energy: -283.265336
where:
bonds (distance) C4'-P energy: -50.950
bonds (distance) P-C4' energy: -69.855
flat angles C4'-P-C4' energy: -67.054
flat angles P-C4'-P energy: -30.703
tors. eta vs tors. theta energy: -64.703
Dist. restrs. and SS energy: 9.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -893.145224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.145224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.877985 (E_RNA)
where:
Base-Base interactions energy: -639.204
where: short stacking energy: -261.254
Base-Backbone interact. energy: 7.115
local terms energy: -266.788809
where:
bonds (distance) C4'-P energy: -55.295
bonds (distance) P-C4' energy: -58.389
flat angles C4'-P-C4' energy: -50.513
flat angles P-C4'-P energy: -42.741
tors. eta vs tors. theta energy: -59.852
Dist. restrs. and SS energy: 5.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -882.479949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.479949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.930130 (E_RNA)
where:
Base-Base interactions energy: -614.681
where: short stacking energy: -229.336
Base-Backbone interact. energy: 2.695
local terms energy: -274.944119
where:
bonds (distance) C4'-P energy: -58.357
bonds (distance) P-C4' energy: -72.775
flat angles C4'-P-C4' energy: -56.172
flat angles P-C4'-P energy: -40.725
tors. eta vs tors. theta energy: -46.915
Dist. restrs. and SS energy: 4.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -757.736254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.736254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.109092 (E_RNA)
where:
Base-Base interactions energy: -539.816
where: short stacking energy: -224.729
Base-Backbone interact. energy: -0.032
local terms energy: -235.260923
where:
bonds (distance) C4'-P energy: -55.822
bonds (distance) P-C4' energy: -58.867
flat angles C4'-P-C4' energy: -45.618
flat angles P-C4'-P energy: -27.816
tors. eta vs tors. theta energy: -47.138
Dist. restrs. and SS energy: 17.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -1253.347562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.347562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.049338 (E_RNA)
where:
Base-Base interactions energy: -891.899
where: short stacking energy: -352.707
Base-Backbone interact. energy: -2.266
local terms energy: -361.884897
where:
bonds (distance) C4'-P energy: -67.683
bonds (distance) P-C4' energy: -67.439
flat angles C4'-P-C4' energy: -67.571
flat angles P-C4'-P energy: -59.058
tors. eta vs tors. theta energy: -100.134
Dist. restrs. and SS energy: 2.702 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -1181.601397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.601397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.036380 (E_RNA)
where:
Base-Base interactions energy: -849.391
where: short stacking energy: -317.602
Base-Backbone interact. energy: -0.726
local terms energy: -333.919496
where:
bonds (distance) C4'-P energy: -62.978
bonds (distance) P-C4' energy: -67.901
flat angles C4'-P-C4' energy: -68.044
flat angles P-C4'-P energy: -51.025
tors. eta vs tors. theta energy: -83.971
Dist. restrs. and SS energy: 2.435 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -1137.509929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.509929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.562870 (E_RNA)
where:
Base-Base interactions energy: -805.144
where: short stacking energy: -331.227
Base-Backbone interact. energy: -1.239
local terms energy: -334.180455
where:
bonds (distance) C4'-P energy: -58.694
bonds (distance) P-C4' energy: -62.019
flat angles C4'-P-C4' energy: -68.327
flat angles P-C4'-P energy: -49.957
tors. eta vs tors. theta energy: -95.184
Dist. restrs. and SS energy: 3.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -1056.465609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.465609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.906872 (E_RNA)
where:
Base-Base interactions energy: -742.618
where: short stacking energy: -290.368
Base-Backbone interact. energy: -0.487
local terms energy: -316.801987
where:
bonds (distance) C4'-P energy: -54.252
bonds (distance) P-C4' energy: -63.046
flat angles C4'-P-C4' energy: -74.079
flat angles P-C4'-P energy: -47.754
tors. eta vs tors. theta energy: -77.670
Dist. restrs. and SS energy: 3.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -1051.104872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.104872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.068969 (E_RNA)
where:
Base-Base interactions energy: -741.303
where: short stacking energy: -295.099
Base-Backbone interact. energy: -1.949
local terms energy: -313.816630
where:
bonds (distance) C4'-P energy: -59.537
bonds (distance) P-C4' energy: -69.206
flat angles C4'-P-C4' energy: -73.825
flat angles P-C4'-P energy: -33.682
tors. eta vs tors. theta energy: -77.566
Dist. restrs. and SS energy: 5.964 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -1017.816852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.816852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.233489 (E_RNA)
where:
Base-Base interactions energy: -718.360
where: short stacking energy: -289.639
Base-Backbone interact. energy: -1.613
local terms energy: -309.261208
where:
bonds (distance) C4'-P energy: -60.793
bonds (distance) P-C4' energy: -55.893
flat angles C4'-P-C4' energy: -71.431
flat angles P-C4'-P energy: -34.544
tors. eta vs tors. theta energy: -86.600
Dist. restrs. and SS energy: 11.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -938.660871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.660871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.700668 (E_RNA)
where:
Base-Base interactions energy: -643.903
where: short stacking energy: -259.554
Base-Backbone interact. energy: 0.458
local terms energy: -302.255380
where:
bonds (distance) C4'-P energy: -57.616
bonds (distance) P-C4' energy: -58.576
flat angles C4'-P-C4' energy: -72.090
flat angles P-C4'-P energy: -43.964
tors. eta vs tors. theta energy: -70.009
Dist. restrs. and SS energy: 7.040 (S_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: 257
Temperature: 1.250000
Total energy: -894.361537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.361537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.051014 (E_RNA)
where:
Base-Base interactions energy: -622.610
where: short stacking energy: -234.441
Base-Backbone interact. energy: -2.397
local terms energy: -274.043580
where:
bonds (distance) C4'-P energy: -45.874
bonds (distance) P-C4' energy: -54.260
flat angles C4'-P-C4' energy: -76.787
flat angles P-C4'-P energy: -43.191
tors. eta vs tors. theta energy: -53.931
Dist. restrs. and SS energy: 4.689 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -879.945163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.945163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.540505 (E_RNA)
where:
Base-Base interactions energy: -611.830
where: short stacking energy: -219.866
Base-Backbone interact. energy: -1.287
local terms energy: -272.423767
where:
bonds (distance) C4'-P energy: -53.320
bonds (distance) P-C4' energy: -72.914
flat angles C4'-P-C4' energy: -63.672
flat angles P-C4'-P energy: -34.026
tors. eta vs tors. theta energy: -48.493
Dist. restrs. and SS energy: 5.595 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -803.873358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.873358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.401100 (E_RNA)
where:
Base-Base interactions energy: -563.233
where: short stacking energy: -205.830
Base-Backbone interact. energy: 0.314
local terms energy: -250.482171
where:
bonds (distance) C4'-P energy: -43.658
bonds (distance) P-C4' energy: -72.133
flat angles C4'-P-C4' energy: -53.398
flat angles P-C4'-P energy: -33.977
tors. eta vs tors. theta energy: -47.317
Dist. restrs. and SS energy: 9.528 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -1237.293004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.293004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.309401 (E_RNA)
where:
Base-Base interactions energy: -863.785
where: short stacking energy: -348.974
Base-Backbone interact. energy: -2.049
local terms energy: -374.475504
where:
bonds (distance) C4'-P energy: -63.636
bonds (distance) P-C4' energy: -74.625
flat angles C4'-P-C4' energy: -77.765
flat angles P-C4'-P energy: -52.104
tors. eta vs tors. theta energy: -106.344
Dist. restrs. and SS energy: 3.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -1208.045930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.045930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.630217 (E_RNA)
where:
Base-Base interactions energy: -845.990
where: short stacking energy: -341.783
Base-Backbone interact. energy: -0.578
local terms energy: -364.062441
where:
bonds (distance) C4'-P energy: -73.125
bonds (distance) P-C4' energy: -63.250
flat angles C4'-P-C4' energy: -70.693
flat angles P-C4'-P energy: -57.032
tors. eta vs tors. theta energy: -99.963
Dist. restrs. and SS energy: 2.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -1152.737187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.737187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.336081 (E_RNA)
where:
Base-Base interactions energy: -806.739
where: short stacking energy: -327.428
Base-Backbone interact. energy: -2.134
local terms energy: -346.463249
where:
bonds (distance) C4'-P energy: -61.262
bonds (distance) P-C4' energy: -73.867
flat angles C4'-P-C4' energy: -70.786
flat angles P-C4'-P energy: -49.697
tors. eta vs tors. theta energy: -90.851
Dist. restrs. and SS energy: 2.599 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -1066.604968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.604968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.597998 (E_RNA)
where:
Base-Base interactions energy: -753.429
where: short stacking energy: -309.447
Base-Backbone interact. energy: 2.552
local terms energy: -319.720994
where:
bonds (distance) C4'-P energy: -54.253
bonds (distance) P-C4' energy: -57.568
flat angles C4'-P-C4' energy: -78.746
flat angles P-C4'-P energy: -48.174
tors. eta vs tors. theta energy: -80.980
Dist. restrs. and SS energy: 3.993 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -1028.541733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.541733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.776401 (E_RNA)
where:
Base-Base interactions energy: -738.170
where: short stacking energy: -278.950
Base-Backbone interact. energy: -2.992
local terms energy: -294.614802
where:
bonds (distance) C4'-P energy: -57.635
bonds (distance) P-C4' energy: -61.804
flat angles C4'-P-C4' energy: -58.293
flat angles P-C4'-P energy: -50.309
tors. eta vs tors. theta energy: -66.574
Dist. restrs. and SS energy: 7.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -1004.872942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.872942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.003269 (E_RNA)
where:
Base-Base interactions energy: -719.951
where: short stacking energy: -286.699
Base-Backbone interact. energy: 1.603
local terms energy: -290.655839
where:
bonds (distance) C4'-P energy: -55.503
bonds (distance) P-C4' energy: -53.126
flat angles C4'-P-C4' energy: -70.335
flat angles P-C4'-P energy: -36.035
tors. eta vs tors. theta energy: -75.657
Dist. restrs. and SS energy: 4.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -932.636413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.636413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.544100 (E_RNA)
where:
Base-Base interactions energy: -638.905
where: short stacking energy: -261.062
Base-Backbone interact. energy: -0.600
local terms energy: -298.038184
where:
bonds (distance) C4'-P energy: -62.045
bonds (distance) P-C4' energy: -60.560
flat angles C4'-P-C4' energy: -59.250
flat angles P-C4'-P energy: -43.557
tors. eta vs tors. theta energy: -72.626
Dist. restrs. and SS energy: 4.908 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -905.116809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.116809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.190643 (E_RNA)
where:
Base-Base interactions energy: -642.827
where: short stacking energy: -237.985
Base-Backbone interact. energy: 4.148
local terms energy: -272.511743
where:
bonds (distance) C4'-P energy: -59.672
bonds (distance) P-C4' energy: -55.698
flat angles C4'-P-C4' energy: -66.048
flat angles P-C4'-P energy: -40.051
tors. eta vs tors. theta energy: -51.042
Dist. restrs. and SS energy: 6.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -831.488531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.488531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.576928 (E_RNA)
where:
Base-Base interactions energy: -597.992
where: short stacking energy: -227.295
Base-Backbone interact. energy: -2.289
local terms energy: -235.295767
where:
bonds (distance) C4'-P energy: -44.709
bonds (distance) P-C4' energy: -59.828
flat angles C4'-P-C4' energy: -44.746
flat angles P-C4'-P energy: -36.779
tors. eta vs tors. theta energy: -49.233
Dist. restrs. and SS energy: 4.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -845.664174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.664174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.245808 (E_RNA)
where:
Base-Base interactions energy: -607.651
where: short stacking energy: -234.304
Base-Backbone interact. energy: 2.572
local terms energy: -252.166569
where:
bonds (distance) C4'-P energy: -55.632
bonds (distance) P-C4' energy: -55.056
flat angles C4'-P-C4' energy: -55.764
flat angles P-C4'-P energy: -32.276
tors. eta vs tors. theta energy: -53.437
Dist. restrs. and SS energy: 11.582 (S_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: 259
Temperature: 0.900000
Total energy: -1245.860838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.860838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.003734 (E_RNA)
where:
Base-Base interactions energy: -882.744
where: short stacking energy: -348.149
Base-Backbone interact. energy: -3.899
local terms energy: -362.361210
where:
bonds (distance) C4'-P energy: -56.525
bonds (distance) P-C4' energy: -62.366
flat angles C4'-P-C4' energy: -80.616
flat angles P-C4'-P energy: -61.161
tors. eta vs tors. theta energy: -101.694
Dist. restrs. and SS energy: 3.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -1191.734442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.734442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.477547 (E_RNA)
where:
Base-Base interactions energy: -852.365
where: short stacking energy: -335.528
Base-Backbone interact. energy: -2.126
local terms energy: -339.986437
where:
bonds (distance) C4'-P energy: -69.496
bonds (distance) P-C4' energy: -67.250
flat angles C4'-P-C4' energy: -74.224
flat angles P-C4'-P energy: -35.547
tors. eta vs tors. theta energy: -93.469
Dist. restrs. and SS energy: 2.743 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -1097.539530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.539530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.906728 (E_RNA)
where:
Base-Base interactions energy: -772.394
where: short stacking energy: -310.876
Base-Backbone interact. energy: -2.525
local terms energy: -325.987774
where:
bonds (distance) C4'-P energy: -54.043
bonds (distance) P-C4' energy: -63.498
flat angles C4'-P-C4' energy: -73.272
flat angles P-C4'-P energy: -57.611
tors. eta vs tors. theta energy: -77.564
Dist. restrs. and SS energy: 3.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -1095.048970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.048970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.697976 (E_RNA)
where:
Base-Base interactions energy: -789.765
where: short stacking energy: -324.728
Base-Backbone interact. energy: -0.511
local terms energy: -308.422044
where:
bonds (distance) C4'-P energy: -49.297
bonds (distance) P-C4' energy: -59.350
flat angles C4'-P-C4' energy: -68.484
flat angles P-C4'-P energy: -47.981
tors. eta vs tors. theta energy: -83.311
Dist. restrs. and SS energy: 3.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -1033.412713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.412713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.777406 (E_RNA)
where:
Base-Base interactions energy: -705.236
where: short stacking energy: -293.554
Base-Backbone interact. energy: 2.054
local terms energy: -333.595430
where:
bonds (distance) C4'-P energy: -60.594
bonds (distance) P-C4' energy: -77.244
flat angles C4'-P-C4' energy: -67.169
flat angles P-C4'-P energy: -44.639
tors. eta vs tors. theta energy: -83.950
Dist. restrs. and SS energy: 3.365 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -996.165003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.165003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.692493 (E_RNA)
where:
Base-Base interactions energy: -689.624
where: short stacking energy: -275.846
Base-Backbone interact. energy: -2.673
local terms energy: -310.395751
where:
bonds (distance) C4'-P energy: -58.663
bonds (distance) P-C4' energy: -68.421
flat angles C4'-P-C4' energy: -65.034
flat angles P-C4'-P energy: -45.287
tors. eta vs tors. theta energy: -72.991
Dist. restrs. and SS energy: 6.527 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -954.087678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.087678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.512390 (E_RNA)
where:
Base-Base interactions energy: -665.502
where: short stacking energy: -256.748
Base-Backbone interact. energy: -1.198
local terms energy: -290.811963
where:
bonds (distance) C4'-P energy: -65.125
bonds (distance) P-C4' energy: -63.622
flat angles C4'-P-C4' energy: -60.876
flat angles P-C4'-P energy: -36.265
tors. eta vs tors. theta energy: -64.924
Dist. restrs. and SS energy: 3.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -906.723935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.723935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.980564 (E_RNA)
where:
Base-Base interactions energy: -635.204
where: short stacking energy: -255.788
Base-Backbone interact. energy: -0.460
local terms energy: -275.317368
where:
bonds (distance) C4'-P energy: -41.467
bonds (distance) P-C4' energy: -62.590
flat angles C4'-P-C4' energy: -72.328
flat angles P-C4'-P energy: -36.931
tors. eta vs tors. theta energy: -62.002
Dist. restrs. and SS energy: 4.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -840.030037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.030037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.618819 (E_RNA)
where:
Base-Base interactions energy: -589.195
where: short stacking energy: -231.213
Base-Backbone interact. energy: 1.220
local terms energy: -255.643852
where:
bonds (distance) C4'-P energy: -55.900
bonds (distance) P-C4' energy: -63.718
flat angles C4'-P-C4' energy: -54.650
flat angles P-C4'-P energy: -31.329
tors. eta vs tors. theta energy: -50.047
Dist. restrs. and SS energy: 3.589 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -809.503398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.503398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.791432 (E_RNA)
where:
Base-Base interactions energy: -570.335
where: short stacking energy: -205.170
Base-Backbone interact. energy: 0.282
local terms energy: -248.739256
where:
bonds (distance) C4'-P energy: -51.466
bonds (distance) P-C4' energy: -60.982
flat angles C4'-P-C4' energy: -52.834
flat angles P-C4'-P energy: -32.031
tors. eta vs tors. theta energy: -51.427
Dist. restrs. and SS energy: 9.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -1247.419666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.419666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.186099 (E_RNA)
where:
Base-Base interactions energy: -871.153
where: short stacking energy: -354.638
Base-Backbone interact. energy: -2.165
local terms energy: -376.867869
where:
bonds (distance) C4'-P energy: -64.559
bonds (distance) P-C4' energy: -69.160
flat angles C4'-P-C4' energy: -82.853
flat angles P-C4'-P energy: -58.845
tors. eta vs tors. theta energy: -101.451
Dist. restrs. and SS energy: 2.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -1180.549498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.549498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.698398 (E_RNA)
where:
Base-Base interactions energy: -831.508
where: short stacking energy: -346.995
Base-Backbone interact. energy: -0.280
local terms energy: -351.909773
where:
bonds (distance) C4'-P energy: -71.412
bonds (distance) P-C4' energy: -67.901
flat angles C4'-P-C4' energy: -68.018
flat angles P-C4'-P energy: -47.051
tors. eta vs tors. theta energy: -97.528
Dist. restrs. and SS energy: 3.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -1128.990048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.990048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.260628 (E_RNA)
where:
Base-Base interactions energy: -793.582
where: short stacking energy: -330.106
Base-Backbone interact. energy: -2.335
local terms energy: -336.343729
where:
bonds (distance) C4'-P energy: -69.720
bonds (distance) P-C4' energy: -57.717
flat angles C4'-P-C4' energy: -67.015
flat angles P-C4'-P energy: -51.766
tors. eta vs tors. theta energy: -90.126
Dist. restrs. and SS energy: 3.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -1117.622082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.622082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.407093 (E_RNA)
where:
Base-Base interactions energy: -789.533
where: short stacking energy: -318.973
Base-Backbone interact. energy: 0.190
local terms energy: -332.064253
where:
bonds (distance) C4'-P energy: -59.176
bonds (distance) P-C4' energy: -64.502
flat angles C4'-P-C4' energy: -69.326
flat angles P-C4'-P energy: -49.529
tors. eta vs tors. theta energy: -89.531
Dist. restrs. and SS energy: 3.785 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -1034.730285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.730285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.152155 (E_RNA)
where:
Base-Base interactions energy: -717.337
where: short stacking energy: -297.620
Base-Backbone interact. energy: -1.538
local terms energy: -323.277551
where:
bonds (distance) C4'-P energy: -58.215
bonds (distance) P-C4' energy: -55.120
flat angles C4'-P-C4' energy: -75.393
flat angles P-C4'-P energy: -52.129
tors. eta vs tors. theta energy: -82.420
Dist. restrs. and SS energy: 7.422 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -1022.435883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.435883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.872824 (E_RNA)
where:
Base-Base interactions energy: -727.431
where: short stacking energy: -290.785
Base-Backbone interact. energy: -0.404
local terms energy: -300.038414
where:
bonds (distance) C4'-P energy: -58.329
bonds (distance) P-C4' energy: -55.679
flat angles C4'-P-C4' energy: -61.034
flat angles P-C4'-P energy: -54.216
tors. eta vs tors. theta energy: -70.779
Dist. restrs. and SS energy: 5.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -904.834992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.834992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.435788 (E_RNA)
where:
Base-Base interactions energy: -623.532
where: short stacking energy: -232.762
Base-Backbone interact. energy: 1.657
local terms energy: -289.560524
where:
bonds (distance) C4'-P energy: -59.264
bonds (distance) P-C4' energy: -65.974
flat angles C4'-P-C4' energy: -66.929
flat angles P-C4'-P energy: -47.228
tors. eta vs tors. theta energy: -50.166
Dist. restrs. and SS energy: 6.601 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -905.684015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.684015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.633392 (E_RNA)
where:
Base-Base interactions energy: -631.652
where: short stacking energy: -248.224
Base-Backbone interact. energy: 3.351
local terms energy: -283.332449
where:
bonds (distance) C4'-P energy: -63.934
bonds (distance) P-C4' energy: -50.433
flat angles C4'-P-C4' energy: -70.189
flat angles P-C4'-P energy: -35.234
tors. eta vs tors. theta energy: -63.543
Dist. restrs. and SS energy: 5.949 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -891.325571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.325571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.722982 (E_RNA)
where:
Base-Base interactions energy: -639.693
where: short stacking energy: -239.270
Base-Backbone interact. energy: 1.346
local terms energy: -259.376741
where:
bonds (distance) C4'-P energy: -49.343
bonds (distance) P-C4' energy: -46.066
flat angles C4'-P-C4' energy: -62.944
flat angles P-C4'-P energy: -37.277
tors. eta vs tors. theta energy: -63.747
Dist. restrs. and SS energy: 6.397 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -801.133347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.133347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.579680 (E_RNA)
where:
Base-Base interactions energy: -543.345
where: short stacking energy: -209.585
Base-Backbone interact. energy: -1.752
local terms energy: -262.483174
where:
bonds (distance) C4'-P energy: -63.517
bonds (distance) P-C4' energy: -56.664
flat angles C4'-P-C4' energy: -57.850
flat angles P-C4'-P energy: -36.595
tors. eta vs tors. theta energy: -47.856
Dist. restrs. and SS energy: 6.446 (S_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: 261
Temperature: 0.900000
Total energy: -1221.966014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.966014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.404281 (E_RNA)
where:
Base-Base interactions energy: -847.674
where: short stacking energy: -356.927
Base-Backbone interact. energy: -3.845
local terms energy: -373.885338
where:
bonds (distance) C4'-P energy: -71.807
bonds (distance) P-C4' energy: -75.070
flat angles C4'-P-C4' energy: -75.858
flat angles P-C4'-P energy: -51.442
tors. eta vs tors. theta energy: -99.708
Dist. restrs. and SS energy: 3.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -1163.224114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.224114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.428022 (E_RNA)
where:
Base-Base interactions energy: -824.638
where: short stacking energy: -321.923
Base-Backbone interact. energy: 0.710
local terms energy: -342.500405
where:
bonds (distance) C4'-P energy: -61.091
bonds (distance) P-C4' energy: -65.416
flat angles C4'-P-C4' energy: -76.164
flat angles P-C4'-P energy: -54.418
tors. eta vs tors. theta energy: -85.412
Dist. restrs. and SS energy: 3.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -1117.542987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.542987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.346442 (E_RNA)
where:
Base-Base interactions energy: -772.645
where: short stacking energy: -328.980
Base-Backbone interact. energy: -1.971
local terms energy: -345.730364
where:
bonds (distance) C4'-P energy: -64.747
bonds (distance) P-C4' energy: -70.791
flat angles C4'-P-C4' energy: -70.452
flat angles P-C4'-P energy: -48.887
tors. eta vs tors. theta energy: -90.854
Dist. restrs. and SS energy: 2.803 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -1043.696038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.696038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.900943 (E_RNA)
where:
Base-Base interactions energy: -738.530
where: short stacking energy: -294.806
Base-Backbone interact. energy: -2.554
local terms energy: -306.817789
where:
bonds (distance) C4'-P energy: -61.853
bonds (distance) P-C4' energy: -66.286
flat angles C4'-P-C4' energy: -60.242
flat angles P-C4'-P energy: -43.924
tors. eta vs tors. theta energy: -74.512
Dist. restrs. and SS energy: 4.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -1032.338292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.338292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.370690 (E_RNA)
where:
Base-Base interactions energy: -718.084
where: short stacking energy: -286.178
Base-Backbone interact. energy: -0.812
local terms energy: -316.474952
where:
bonds (distance) C4'-P energy: -64.087
bonds (distance) P-C4' energy: -57.407
flat angles C4'-P-C4' energy: -69.912
flat angles P-C4'-P energy: -48.627
tors. eta vs tors. theta energy: -76.442
Dist. restrs. and SS energy: 3.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -989.236578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.236578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.507744 (E_RNA)
where:
Base-Base interactions energy: -703.884
where: short stacking energy: -275.709
Base-Backbone interact. energy: -0.794
local terms energy: -287.829839
where:
bonds (distance) C4'-P energy: -50.606
bonds (distance) P-C4' energy: -63.828
flat angles C4'-P-C4' energy: -56.029
flat angles P-C4'-P energy: -50.201
tors. eta vs tors. theta energy: -67.165
Dist. restrs. and SS energy: 3.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -954.815432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.815432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.081062 (E_RNA)
where:
Base-Base interactions energy: -664.837
where: short stacking energy: -261.270
Base-Backbone interact. energy: 0.598
local terms energy: -296.842218
where:
bonds (distance) C4'-P energy: -61.747
bonds (distance) P-C4' energy: -56.254
flat angles C4'-P-C4' energy: -70.700
flat angles P-C4'-P energy: -32.642
tors. eta vs tors. theta energy: -75.499
Dist. restrs. and SS energy: 6.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -909.870220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.870220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.320937 (E_RNA)
where:
Base-Base interactions energy: -636.176
where: short stacking energy: -258.367
Base-Backbone interact. energy: 1.669
local terms energy: -281.814179
where:
bonds (distance) C4'-P energy: -59.450
bonds (distance) P-C4' energy: -46.829
flat angles C4'-P-C4' energy: -67.471
flat angles P-C4'-P energy: -42.666
tors. eta vs tors. theta energy: -65.398
Dist. restrs. and SS energy: 6.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -890.540048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.540048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.253670 (E_RNA)
where:
Base-Base interactions energy: -619.211
where: short stacking energy: -255.039
Base-Backbone interact. energy: -1.176
local terms energy: -282.866988
where:
bonds (distance) C4'-P energy: -51.633
bonds (distance) P-C4' energy: -68.992
flat angles C4'-P-C4' energy: -53.702
flat angles P-C4'-P energy: -47.558
tors. eta vs tors. theta energy: -60.982
Dist. restrs. and SS energy: 12.714 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -786.611145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.611145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.806793 (E_RNA)
where:
Base-Base interactions energy: -525.036
where: short stacking energy: -225.491
Base-Backbone interact. energy: -1.683
local terms energy: -275.088436
where:
bonds (distance) C4'-P energy: -59.750
bonds (distance) P-C4' energy: -53.787
flat angles C4'-P-C4' energy: -59.235
flat angles P-C4'-P energy: -47.642
tors. eta vs tors. theta energy: -54.674
Dist. restrs. and SS energy: 15.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -1213.488317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.488317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.862695 (E_RNA)
where:
Base-Base interactions energy: -862.019
where: short stacking energy: -354.025
Base-Backbone interact. energy: -1.607
local terms energy: -353.236402
where:
bonds (distance) C4'-P energy: -58.257
bonds (distance) P-C4' energy: -76.254
flat angles C4'-P-C4' energy: -71.629
flat angles P-C4'-P energy: -50.893
tors. eta vs tors. theta energy: -96.204
Dist. restrs. and SS energy: 3.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -1160.640386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.640386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.113555 (E_RNA)
where:
Base-Base interactions energy: -802.263
where: short stacking energy: -340.753
Base-Backbone interact. energy: 3.725
local terms energy: -366.575645
where:
bonds (distance) C4'-P energy: -71.303
bonds (distance) P-C4' energy: -65.779
flat angles C4'-P-C4' energy: -75.650
flat angles P-C4'-P energy: -60.321
tors. eta vs tors. theta energy: -93.523
Dist. restrs. and SS energy: 4.473 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -1101.250275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.250275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.435283 (E_RNA)
where:
Base-Base interactions energy: -762.358
where: short stacking energy: -318.052
Base-Backbone interact. energy: -1.635
local terms energy: -340.442048
where:
bonds (distance) C4'-P energy: -61.891
bonds (distance) P-C4' energy: -64.381
flat angles C4'-P-C4' energy: -78.354
flat angles P-C4'-P energy: -47.281
tors. eta vs tors. theta energy: -88.535
Dist. restrs. and SS energy: 3.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -1056.370307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.370307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.684048 (E_RNA)
where:
Base-Base interactions energy: -746.409
where: short stacking energy: -310.041
Base-Backbone interact. energy: 0.524
local terms energy: -313.798809
where:
bonds (distance) C4'-P energy: -55.488
bonds (distance) P-C4' energy: -62.949
flat angles C4'-P-C4' energy: -70.767
flat angles P-C4'-P energy: -41.630
tors. eta vs tors. theta energy: -82.965
Dist. restrs. and SS energy: 3.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -1021.166179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.166179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.806049 (E_RNA)
where:
Base-Base interactions energy: -715.374
where: short stacking energy: -280.492
Base-Backbone interact. energy: -1.286
local terms energy: -308.145974
where:
bonds (distance) C4'-P energy: -68.402
bonds (distance) P-C4' energy: -62.507
flat angles C4'-P-C4' energy: -63.694
flat angles P-C4'-P energy: -40.126
tors. eta vs tors. theta energy: -73.416
Dist. restrs. and SS energy: 3.640 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -973.837059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.837059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.758469 (E_RNA)
where:
Base-Base interactions energy: -671.220
where: short stacking energy: -263.770
Base-Backbone interact. energy: -1.806
local terms energy: -309.733200
where:
bonds (distance) C4'-P energy: -56.402
bonds (distance) P-C4' energy: -61.228
flat angles C4'-P-C4' energy: -69.336
flat angles P-C4'-P energy: -49.742
tors. eta vs tors. theta energy: -73.026
Dist. restrs. and SS energy: 8.921 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -939.484407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.484407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.352404 (E_RNA)
where:
Base-Base interactions energy: -661.989
where: short stacking energy: -261.227
Base-Backbone interact. energy: -1.338
local terms energy: -282.025982
where:
bonds (distance) C4'-P energy: -57.190
bonds (distance) P-C4' energy: -53.138
flat angles C4'-P-C4' energy: -59.780
flat angles P-C4'-P energy: -44.201
tors. eta vs tors. theta energy: -67.718
Dist. restrs. and SS energy: 5.868 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -911.825628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.825628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.843029 (E_RNA)
where:
Base-Base interactions energy: -633.551
where: short stacking energy: -242.247
Base-Backbone interact. energy: -2.118
local terms energy: -283.173677
where:
bonds (distance) C4'-P energy: -61.928
bonds (distance) P-C4' energy: -47.672
flat angles C4'-P-C4' energy: -69.353
flat angles P-C4'-P energy: -40.118
tors. eta vs tors. theta energy: -64.103
Dist. restrs. and SS energy: 7.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -873.900353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.900353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.401598 (E_RNA)
where:
Base-Base interactions energy: -619.751
where: short stacking energy: -231.432
Base-Backbone interact. energy: -0.883
local terms energy: -264.767792
where:
bonds (distance) C4'-P energy: -61.977
bonds (distance) P-C4' energy: -51.125
flat angles C4'-P-C4' energy: -48.335
flat angles P-C4'-P energy: -43.777
tors. eta vs tors. theta energy: -59.553
Dist. restrs. and SS energy: 11.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -794.202710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.202710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.040253 (E_RNA)
where:
Base-Base interactions energy: -560.951
where: short stacking energy: -227.085
Base-Backbone interact. energy: 2.808
local terms energy: -242.897753
where:
bonds (distance) C4'-P energy: -56.762
bonds (distance) P-C4' energy: -52.541
flat angles C4'-P-C4' energy: -54.566
flat angles P-C4'-P energy: -33.687
tors. eta vs tors. theta energy: -45.341
Dist. restrs. and SS energy: 6.838 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -1227.041651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.041651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.772115 (E_RNA)
where:
Base-Base interactions energy: -858.623
where: short stacking energy: -364.433
Base-Backbone interact. energy: -0.515
local terms energy: -370.633735
where:
bonds (distance) C4'-P energy: -69.774
bonds (distance) P-C4' energy: -66.349
flat angles C4'-P-C4' energy: -80.238
flat angles P-C4'-P energy: -50.174
tors. eta vs tors. theta energy: -104.099
Dist. restrs. and SS energy: 2.730 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -1133.270557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.270557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.327488 (E_RNA)
where:
Base-Base interactions energy: -796.989
where: short stacking energy: -314.900
Base-Backbone interact. energy: -0.938
local terms energy: -338.400511
where:
bonds (distance) C4'-P energy: -61.239
bonds (distance) P-C4' energy: -69.580
flat angles C4'-P-C4' energy: -77.011
flat angles P-C4'-P energy: -49.665
tors. eta vs tors. theta energy: -80.906
Dist. restrs. and SS energy: 3.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -1135.277834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.277834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.189652 (E_RNA)
where:
Base-Base interactions energy: -792.064
where: short stacking energy: -315.570
Base-Backbone interact. energy: 1.587
local terms energy: -353.712218
where:
bonds (distance) C4'-P energy: -69.207
bonds (distance) P-C4' energy: -70.266
flat angles C4'-P-C4' energy: -74.169
flat angles P-C4'-P energy: -54.705
tors. eta vs tors. theta energy: -85.365
Dist. restrs. and SS energy: 8.912 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -1071.901628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.901628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.261592 (E_RNA)
where:
Base-Base interactions energy: -760.502
where: short stacking energy: -289.737
Base-Backbone interact. energy: 0.791
local terms energy: -315.550218
where:
bonds (distance) C4'-P energy: -72.555
bonds (distance) P-C4' energy: -62.263
flat angles C4'-P-C4' energy: -62.927
flat angles P-C4'-P energy: -45.350
tors. eta vs tors. theta energy: -72.455
Dist. restrs. and SS energy: 3.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -1008.224855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.224855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.213912 (E_RNA)
where:
Base-Base interactions energy: -712.053
where: short stacking energy: -284.272
Base-Backbone interact. energy: -1.088
local terms energy: -300.073241
where:
bonds (distance) C4'-P energy: -62.924
bonds (distance) P-C4' energy: -63.253
flat angles C4'-P-C4' energy: -70.119
flat angles P-C4'-P energy: -40.123
tors. eta vs tors. theta energy: -63.654
Dist. restrs. and SS energy: 4.989 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -992.412441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.412441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.088825 (E_RNA)
where:
Base-Base interactions energy: -686.370
where: short stacking energy: -271.788
Base-Backbone interact. energy: -1.351
local terms energy: -310.367269
where:
bonds (distance) C4'-P energy: -61.054
bonds (distance) P-C4' energy: -64.223
flat angles C4'-P-C4' energy: -67.691
flat angles P-C4'-P energy: -43.710
tors. eta vs tors. theta energy: -73.689
Dist. restrs. and SS energy: 5.676 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -959.963939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.963939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.603153 (E_RNA)
where:
Base-Base interactions energy: -669.703
where: short stacking energy: -266.091
Base-Backbone interact. energy: -0.257
local terms energy: -295.642597
where:
bonds (distance) C4'-P energy: -56.042
bonds (distance) P-C4' energy: -55.828
flat angles C4'-P-C4' energy: -57.753
flat angles P-C4'-P energy: -52.523
tors. eta vs tors. theta energy: -73.496
Dist. restrs. and SS energy: 5.639 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -895.829279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.829279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.869559 (E_RNA)
where:
Base-Base interactions energy: -658.316
where: short stacking energy: -261.795
Base-Backbone interact. energy: -2.091
local terms energy: -248.462720
where:
bonds (distance) C4'-P energy: -55.747
bonds (distance) P-C4' energy: -46.646
flat angles C4'-P-C4' energy: -53.401
flat angles P-C4'-P energy: -32.463
tors. eta vs tors. theta energy: -60.206
Dist. restrs. and SS energy: 13.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -912.129154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.129154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.030943 (E_RNA)
where:
Base-Base interactions energy: -630.295
where: short stacking energy: -236.152
Base-Backbone interact. energy: -1.057
local terms energy: -285.679301
where:
bonds (distance) C4'-P energy: -52.097
bonds (distance) P-C4' energy: -66.088
flat angles C4'-P-C4' energy: -55.391
flat angles P-C4'-P energy: -47.843
tors. eta vs tors. theta energy: -64.261
Dist. restrs. and SS energy: 4.902 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -770.800695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.800695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.787894 (E_RNA)
where:
Base-Base interactions energy: -540.608
where: short stacking energy: -216.214
Base-Backbone interact. energy: -1.829
local terms energy: -240.350905
where:
bonds (distance) C4'-P energy: -34.911
bonds (distance) P-C4' energy: -60.860
flat angles C4'-P-C4' energy: -48.342
flat angles P-C4'-P energy: -43.405
tors. eta vs tors. theta energy: -52.832
Dist. restrs. and SS energy: 11.987 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -1225.922194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.922194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.359218 (E_RNA)
where:
Base-Base interactions energy: -869.458
where: short stacking energy: -358.931
Base-Backbone interact. energy: 0.917
local terms energy: -359.817974
where:
bonds (distance) C4'-P energy: -60.447
bonds (distance) P-C4' energy: -66.895
flat angles C4'-P-C4' energy: -75.432
flat angles P-C4'-P energy: -56.554
tors. eta vs tors. theta energy: -100.490
Dist. restrs. and SS energy: 2.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -1169.068520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.068520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.914460 (E_RNA)
where:
Base-Base interactions energy: -826.594
where: short stacking energy: -337.172
Base-Backbone interact. energy: -2.076
local terms energy: -343.244526
where:
bonds (distance) C4'-P energy: -57.446
bonds (distance) P-C4' energy: -60.560
flat angles C4'-P-C4' energy: -77.913
flat angles P-C4'-P energy: -56.931
tors. eta vs tors. theta energy: -90.394
Dist. restrs. and SS energy: 2.846 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -1134.711022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.711022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.479156 (E_RNA)
where:
Base-Base interactions energy: -817.286
where: short stacking energy: -317.036
Base-Backbone interact. energy: -1.825
local terms energy: -319.368002
where:
bonds (distance) C4'-P energy: -54.243
bonds (distance) P-C4' energy: -57.321
flat angles C4'-P-C4' energy: -70.351
flat angles P-C4'-P energy: -48.820
tors. eta vs tors. theta energy: -88.633
Dist. restrs. and SS energy: 3.768 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -1099.949725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.949725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.376095 (E_RNA)
where:
Base-Base interactions energy: -775.546
where: short stacking energy: -319.345
Base-Backbone interact. energy: -1.684
local terms energy: -327.146125
where:
bonds (distance) C4'-P energy: -67.697
bonds (distance) P-C4' energy: -55.922
flat angles C4'-P-C4' energy: -69.121
flat angles P-C4'-P energy: -44.771
tors. eta vs tors. theta energy: -89.636
Dist. restrs. and SS energy: 4.426 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -1011.238242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.238242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.014681 (E_RNA)
where:
Base-Base interactions energy: -693.075
where: short stacking energy: -301.636
Base-Backbone interact. energy: -2.210
local terms energy: -320.730210
where:
bonds (distance) C4'-P energy: -53.783
bonds (distance) P-C4' energy: -65.617
flat angles C4'-P-C4' energy: -70.699
flat angles P-C4'-P energy: -48.322
tors. eta vs tors. theta energy: -82.309
Dist. restrs. and SS energy: 4.776 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -992.959966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.959966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.802113 (E_RNA)
where:
Base-Base interactions energy: -693.683
where: short stacking energy: -265.527
Base-Backbone interact. energy: 0.546
local terms energy: -307.665085
where:
bonds (distance) C4'-P energy: -56.220
bonds (distance) P-C4' energy: -67.442
flat angles C4'-P-C4' energy: -68.093
flat angles P-C4'-P energy: -46.874
tors. eta vs tors. theta energy: -69.035
Dist. restrs. and SS energy: 7.842 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -926.896796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.896796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.731930 (E_RNA)
where:
Base-Base interactions energy: -645.757
where: short stacking energy: -248.414
Base-Backbone interact. energy: -0.492
local terms energy: -284.482822
where:
bonds (distance) C4'-P energy: -59.788
bonds (distance) P-C4' energy: -56.931
flat angles C4'-P-C4' energy: -67.504
flat angles P-C4'-P energy: -33.875
tors. eta vs tors. theta energy: -66.385
Dist. restrs. and SS energy: 3.835 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -935.685822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.685822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.076747 (E_RNA)
where:
Base-Base interactions energy: -678.864
where: short stacking energy: -274.712
Base-Backbone interact. energy: -1.101
local terms energy: -264.111740
where:
bonds (distance) C4'-P energy: -52.134
bonds (distance) P-C4' energy: -48.848
flat angles C4'-P-C4' energy: -50.789
flat angles P-C4'-P energy: -40.037
tors. eta vs tors. theta energy: -72.304
Dist. restrs. and SS energy: 8.391 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -880.823957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.823957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.481444 (E_RNA)
where:
Base-Base interactions energy: -607.640
where: short stacking energy: -258.583
Base-Backbone interact. energy: -0.615
local terms energy: -277.226398
where:
bonds (distance) C4'-P energy: -67.612
bonds (distance) P-C4' energy: -44.254
flat angles C4'-P-C4' energy: -51.099
flat angles P-C4'-P energy: -48.839
tors. eta vs tors. theta energy: -65.423
Dist. restrs. and SS energy: 4.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -841.533867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.533867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.071263 (E_RNA)
where:
Base-Base interactions energy: -579.266
where: short stacking energy: -229.413
Base-Backbone interact. energy: -1.597
local terms energy: -268.208170
where:
bonds (distance) C4'-P energy: -54.364
bonds (distance) P-C4' energy: -59.308
flat angles C4'-P-C4' energy: -63.740
flat angles P-C4'-P energy: -37.756
tors. eta vs tors. theta energy: -53.040
Dist. restrs. and SS energy: 7.537 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -1241.014417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.014417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.562516 (E_RNA)
where:
Base-Base interactions energy: -849.811
where: short stacking energy: -351.364
Base-Backbone interact. energy: -1.360
local terms energy: -392.390924
where:
bonds (distance) C4'-P energy: -75.793
bonds (distance) P-C4' energy: -77.002
flat angles C4'-P-C4' energy: -75.304
flat angles P-C4'-P energy: -53.754
tors. eta vs tors. theta energy: -110.538
Dist. restrs. and SS energy: 2.548 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -1186.286718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.286718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.881675 (E_RNA)
where:
Base-Base interactions energy: -838.763
where: short stacking energy: -340.351
Base-Backbone interact. energy: -3.812
local terms energy: -346.306363
where:
bonds (distance) C4'-P energy: -59.931
bonds (distance) P-C4' energy: -73.299
flat angles C4'-P-C4' energy: -76.830
flat angles P-C4'-P energy: -45.782
tors. eta vs tors. theta energy: -90.463
Dist. restrs. and SS energy: 2.595 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -1164.781875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.781875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.712156 (E_RNA)
where:
Base-Base interactions energy: -813.098
where: short stacking energy: -341.512
Base-Backbone interact. energy: -2.300
local terms energy: -353.314305
where:
bonds (distance) C4'-P energy: -58.982
bonds (distance) P-C4' energy: -68.783
flat angles C4'-P-C4' energy: -76.748
flat angles P-C4'-P energy: -53.810
tors. eta vs tors. theta energy: -94.991
Dist. restrs. and SS energy: 3.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -1058.008765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.008765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.467117 (E_RNA)
where:
Base-Base interactions energy: -743.603
where: short stacking energy: -291.391
Base-Backbone interact. energy: -1.091
local terms energy: -316.772862
where:
bonds (distance) C4'-P energy: -65.094
bonds (distance) P-C4' energy: -61.887
flat angles C4'-P-C4' energy: -72.748
flat angles P-C4'-P energy: -49.578
tors. eta vs tors. theta energy: -67.467
Dist. restrs. and SS energy: 3.458 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -1015.460287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.460287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.016719 (E_RNA)
where:
Base-Base interactions energy: -698.132
where: short stacking energy: -278.666
Base-Backbone interact. energy: 0.178
local terms energy: -322.063003
where:
bonds (distance) C4'-P energy: -62.756
bonds (distance) P-C4' energy: -63.392
flat angles C4'-P-C4' energy: -65.895
flat angles P-C4'-P energy: -48.690
tors. eta vs tors. theta energy: -81.329
Dist. restrs. and SS energy: 4.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -984.402485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.402485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.441343 (E_RNA)
where:
Base-Base interactions energy: -673.569
where: short stacking energy: -264.015
Base-Backbone interact. energy: -2.140
local terms energy: -311.732322
where:
bonds (distance) C4'-P energy: -64.855
bonds (distance) P-C4' energy: -64.099
flat angles C4'-P-C4' energy: -61.856
flat angles P-C4'-P energy: -48.694
tors. eta vs tors. theta energy: -72.229
Dist. restrs. and SS energy: 3.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -978.487834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.487834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.637252 (E_RNA)
where:
Base-Base interactions energy: -707.761
where: short stacking energy: -273.434
Base-Backbone interact. energy: -1.002
local terms energy: -277.873961
where:
bonds (distance) C4'-P energy: -48.952
bonds (distance) P-C4' energy: -53.581
flat angles C4'-P-C4' energy: -59.670
flat angles P-C4'-P energy: -44.708
tors. eta vs tors. theta energy: -70.963
Dist. restrs. and SS energy: 8.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -934.462932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.462932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.859874 (E_RNA)
where:
Base-Base interactions energy: -627.759
where: short stacking energy: -257.030
Base-Backbone interact. energy: -1.093
local terms energy: -309.007730
where:
bonds (distance) C4'-P energy: -65.633
bonds (distance) P-C4' energy: -59.062
flat angles C4'-P-C4' energy: -67.949
flat angles P-C4'-P energy: -46.997
tors. eta vs tors. theta energy: -69.367
Dist. restrs. and SS energy: 3.397 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -886.656124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.656124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.587790 (E_RNA)
where:
Base-Base interactions energy: -610.330
where: short stacking energy: -250.948
Base-Backbone interact. energy: 2.535
local terms energy: -285.792811
where:
bonds (distance) C4'-P energy: -54.591
bonds (distance) P-C4' energy: -54.170
flat angles C4'-P-C4' energy: -62.495
flat angles P-C4'-P energy: -50.900
tors. eta vs tors. theta energy: -63.637
Dist. restrs. and SS energy: 6.932 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -873.202781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.202781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.686942 (E_RNA)
where:
Base-Base interactions energy: -623.671
where: short stacking energy: -249.088
Base-Backbone interact. energy: 3.192
local terms energy: -260.207487
where:
bonds (distance) C4'-P energy: -57.329
bonds (distance) P-C4' energy: -51.235
flat angles C4'-P-C4' energy: -51.273
flat angles P-C4'-P energy: -36.596
tors. eta vs tors. theta energy: -63.775
Dist. restrs. and SS energy: 7.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -1228.809515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.809515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.322718 (E_RNA)
where:
Base-Base interactions energy: -853.701
where: short stacking energy: -368.546
Base-Backbone interact. energy: -2.754
local terms energy: -375.867338
where:
bonds (distance) C4'-P energy: -69.749
bonds (distance) P-C4' energy: -70.087
flat angles C4'-P-C4' energy: -75.233
flat angles P-C4'-P energy: -56.370
tors. eta vs tors. theta energy: -104.428
Dist. restrs. and SS energy: 3.513 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -1181.730715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.730715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.995807 (E_RNA)
where:
Base-Base interactions energy: -807.900
where: short stacking energy: -325.831
Base-Backbone interact. energy: -4.843
local terms energy: -372.252850
where:
bonds (distance) C4'-P energy: -76.869
bonds (distance) P-C4' energy: -69.438
flat angles C4'-P-C4' energy: -77.681
flat angles P-C4'-P energy: -52.021
tors. eta vs tors. theta energy: -96.244
Dist. restrs. and SS energy: 3.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -1171.112272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.112272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.939205 (E_RNA)
where:
Base-Base interactions energy: -825.812
where: short stacking energy: -330.662
Base-Backbone interact. energy: 6.254
local terms energy: -354.381500
where:
bonds (distance) C4'-P energy: -60.409
bonds (distance) P-C4' energy: -73.350
flat angles C4'-P-C4' energy: -72.704
flat angles P-C4'-P energy: -53.646
tors. eta vs tors. theta energy: -94.271
Dist. restrs. and SS energy: 2.827 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -1077.973898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.973898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.070894 (E_RNA)
where:
Base-Base interactions energy: -755.993
where: short stacking energy: -300.752
Base-Backbone interact. energy: -1.721
local terms energy: -324.356674
where:
bonds (distance) C4'-P energy: -60.220
bonds (distance) P-C4' energy: -80.674
flat angles C4'-P-C4' energy: -65.500
flat angles P-C4'-P energy: -47.868
tors. eta vs tors. theta energy: -70.095
Dist. restrs. and SS energy: 4.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -1040.388481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.388481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.669978 (E_RNA)
where:
Base-Base interactions energy: -718.871
where: short stacking energy: -308.149
Base-Backbone interact. energy: -1.875
local terms energy: -325.924439
where:
bonds (distance) C4'-P energy: -59.441
bonds (distance) P-C4' energy: -74.387
flat angles C4'-P-C4' energy: -71.491
flat angles P-C4'-P energy: -41.864
tors. eta vs tors. theta energy: -78.742
Dist. restrs. and SS energy: 6.281 (S_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: 266
Temperature: 1.150000
Total energy: -955.011802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.011802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.723043 (E_RNA)
where:
Base-Base interactions energy: -677.949
where: short stacking energy: -290.079
Base-Backbone interact. energy: 0.372
local terms energy: -282.146801
where:
bonds (distance) C4'-P energy: -62.599
bonds (distance) P-C4' energy: -63.687
flat angles C4'-P-C4' energy: -52.065
flat angles P-C4'-P energy: -36.422
tors. eta vs tors. theta energy: -67.374
Dist. restrs. and SS energy: 4.711 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -954.773423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.773423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.233766 (E_RNA)
where:
Base-Base interactions energy: -703.620
where: short stacking energy: -258.563
Base-Backbone interact. energy: 1.345
local terms energy: -258.959331
where:
bonds (distance) C4'-P energy: -51.795
bonds (distance) P-C4' energy: -44.772
flat angles C4'-P-C4' energy: -49.105
flat angles P-C4'-P energy: -47.799
tors. eta vs tors. theta energy: -65.489
Dist. restrs. and SS energy: 6.460 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -915.142508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.142508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.263287 (E_RNA)
where:
Base-Base interactions energy: -648.053
where: short stacking energy: -269.191
Base-Backbone interact. energy: -0.848
local terms energy: -273.362638
where:
bonds (distance) C4'-P energy: -52.872
bonds (distance) P-C4' energy: -54.016
flat angles C4'-P-C4' energy: -69.800
flat angles P-C4'-P energy: -29.655
tors. eta vs tors. theta energy: -67.020
Dist. restrs. and SS energy: 7.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -900.279763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.279763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.515228 (E_RNA)
where:
Base-Base interactions energy: -633.528
where: short stacking energy: -255.594
Base-Backbone interact. energy: -1.234
local terms energy: -270.752981
where:
bonds (distance) C4'-P energy: -64.255
bonds (distance) P-C4' energy: -62.187
flat angles C4'-P-C4' energy: -57.266
flat angles P-C4'-P energy: -31.150
tors. eta vs tors. theta energy: -55.895
Dist. restrs. and SS energy: 5.235 (S_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: 266
Temperature: 1.350000
Total energy: -863.472180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.472180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.005712 (E_RNA)
where:
Base-Base interactions energy: -619.279
where: short stacking energy: -253.125
Base-Backbone interact. energy: -0.450
local terms energy: -248.276108
where:
bonds (distance) C4'-P energy: -44.695
bonds (distance) P-C4' energy: -44.050
flat angles C4'-P-C4' energy: -66.219
flat angles P-C4'-P energy: -37.391
tors. eta vs tors. theta energy: -55.921
Dist. restrs. and SS energy: 4.534 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -1237.479206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.479206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.661975 (E_RNA)
where:
Base-Base interactions energy: -862.483
where: short stacking energy: -363.261
Base-Backbone interact. energy: -3.558
local terms energy: -374.621027
where:
bonds (distance) C4'-P energy: -66.044
bonds (distance) P-C4' energy: -69.719
flat angles C4'-P-C4' energy: -72.918
flat angles P-C4'-P energy: -60.587
tors. eta vs tors. theta energy: -105.352
Dist. restrs. and SS energy: 3.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -1188.964418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.964418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.535618 (E_RNA)
where:
Base-Base interactions energy: -827.547
where: short stacking energy: -324.519
Base-Backbone interact. energy: -1.376
local terms energy: -363.613100
where:
bonds (distance) C4'-P energy: -69.917
bonds (distance) P-C4' energy: -64.955
flat angles C4'-P-C4' energy: -72.937
flat angles P-C4'-P energy: -59.913
tors. eta vs tors. theta energy: -95.891
Dist. restrs. and SS energy: 3.571 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -1158.675081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.675081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.731587 (E_RNA)
where:
Base-Base interactions energy: -816.192
where: short stacking energy: -337.807
Base-Backbone interact. energy: -0.299
local terms energy: -345.240876
where:
bonds (distance) C4'-P energy: -61.277
bonds (distance) P-C4' energy: -62.757
flat angles C4'-P-C4' energy: -65.998
flat angles P-C4'-P energy: -53.329
tors. eta vs tors. theta energy: -101.879
Dist. restrs. and SS energy: 3.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -1033.615620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.615620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.552466 (E_RNA)
where:
Base-Base interactions energy: -754.142
where: short stacking energy: -294.396
Base-Backbone interact. energy: -3.640
local terms energy: -281.771047
where:
bonds (distance) C4'-P energy: -50.390
bonds (distance) P-C4' energy: -60.180
flat angles C4'-P-C4' energy: -60.901
flat angles P-C4'-P energy: -42.105
tors. eta vs tors. theta energy: -68.194
Dist. restrs. and SS energy: 5.937 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -1020.334911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.334911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.023293 (E_RNA)
where:
Base-Base interactions energy: -712.529
where: short stacking energy: -282.804
Base-Backbone interact. energy: -1.077
local terms energy: -315.417860
where:
bonds (distance) C4'-P energy: -68.424
bonds (distance) P-C4' energy: -62.598
flat angles C4'-P-C4' energy: -67.223
flat angles P-C4'-P energy: -41.860
tors. eta vs tors. theta energy: -75.313
Dist. restrs. and SS energy: 8.688 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -965.916335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.916335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.787764 (E_RNA)
where:
Base-Base interactions energy: -663.333
where: short stacking energy: -279.743
Base-Backbone interact. energy: 0.706
local terms energy: -307.160983
where:
bonds (distance) C4'-P energy: -62.270
bonds (distance) P-C4' energy: -67.934
flat angles C4'-P-C4' energy: -68.639
flat angles P-C4'-P energy: -41.569
tors. eta vs tors. theta energy: -66.749
Dist. restrs. and SS energy: 3.871 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -956.179726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.179726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.744970 (E_RNA)
where:
Base-Base interactions energy: -659.095
where: short stacking energy: -275.506
Base-Backbone interact. energy: 1.226
local terms energy: -303.875822
where:
bonds (distance) C4'-P energy: -56.625
bonds (distance) P-C4' energy: -62.852
flat angles C4'-P-C4' energy: -64.105
flat angles P-C4'-P energy: -54.131
tors. eta vs tors. theta energy: -66.163
Dist. restrs. and SS energy: 5.565 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -902.325708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.325708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.995640 (E_RNA)
where:
Base-Base interactions energy: -622.636
where: short stacking energy: -243.054
Base-Backbone interact. energy: -2.687
local terms energy: -281.672847
where:
bonds (distance) C4'-P energy: -51.465
bonds (distance) P-C4' energy: -55.624
flat angles C4'-P-C4' energy: -64.557
flat angles P-C4'-P energy: -43.159
tors. eta vs tors. theta energy: -66.869
Dist. restrs. and SS energy: 4.670 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -891.613565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.613565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.288980 (E_RNA)
where:
Base-Base interactions energy: -608.232
where: short stacking energy: -230.316
Base-Backbone interact. energy: -0.492
local terms energy: -287.565532
where:
bonds (distance) C4'-P energy: -46.582
bonds (distance) P-C4' energy: -71.484
flat angles C4'-P-C4' energy: -61.802
flat angles P-C4'-P energy: -50.068
tors. eta vs tors. theta energy: -57.630
Dist. restrs. and SS energy: 4.675 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -861.903143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.903143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.616528 (E_RNA)
where:
Base-Base interactions energy: -614.020
where: short stacking energy: -248.006
Base-Backbone interact. energy: 2.635
local terms energy: -254.231158
where:
bonds (distance) C4'-P energy: -55.910
bonds (distance) P-C4' energy: -53.818
flat angles C4'-P-C4' energy: -56.397
flat angles P-C4'-P energy: -27.544
tors. eta vs tors. theta energy: -60.563
Dist. restrs. and SS energy: 3.713 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -1223.687673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.687673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.676628 (E_RNA)
where:
Base-Base interactions energy: -847.987
where: short stacking energy: -356.962
Base-Backbone interact. energy: -3.015
local terms energy: -375.674639
where:
bonds (distance) C4'-P energy: -68.559
bonds (distance) P-C4' energy: -67.998
flat angles C4'-P-C4' energy: -81.227
flat angles P-C4'-P energy: -48.643
tors. eta vs tors. theta energy: -109.248
Dist. restrs. and SS energy: 2.989 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -1184.420596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.420596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.777710 (E_RNA)
where:
Base-Base interactions energy: -835.473
where: short stacking energy: -328.112
Base-Backbone interact. energy: -3.503
local terms energy: -348.802310
where:
bonds (distance) C4'-P energy: -63.357
bonds (distance) P-C4' energy: -61.869
flat angles C4'-P-C4' energy: -75.907
flat angles P-C4'-P energy: -58.749
tors. eta vs tors. theta energy: -88.920
Dist. restrs. and SS energy: 3.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -1144.291289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.291289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.583020 (E_RNA)
where:
Base-Base interactions energy: -797.844
where: short stacking energy: -322.633
Base-Backbone interact. energy: -2.813
local terms energy: -346.926597
where:
bonds (distance) C4'-P energy: -61.980
bonds (distance) P-C4' energy: -61.654
flat angles C4'-P-C4' energy: -73.494
flat angles P-C4'-P energy: -59.632
tors. eta vs tors. theta energy: -90.166
Dist. restrs. and SS energy: 3.292 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -1052.255445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.255445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.639209 (E_RNA)
where:
Base-Base interactions energy: -731.046
where: short stacking energy: -280.126
Base-Backbone interact. energy: -3.961
local terms energy: -320.632070
where:
bonds (distance) C4'-P energy: -65.383
bonds (distance) P-C4' energy: -62.173
flat angles C4'-P-C4' energy: -65.936
flat angles P-C4'-P energy: -47.498
tors. eta vs tors. theta energy: -79.641
Dist. restrs. and SS energy: 3.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -1020.727482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.727482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.722037 (E_RNA)
where:
Base-Base interactions energy: -724.770
where: short stacking energy: -295.474
Base-Backbone interact. energy: -1.067
local terms energy: -299.884850
where:
bonds (distance) C4'-P energy: -56.887
bonds (distance) P-C4' energy: -64.093
flat angles C4'-P-C4' energy: -71.964
flat angles P-C4'-P energy: -33.486
tors. eta vs tors. theta energy: -73.454
Dist. restrs. and SS energy: 4.995 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -942.707541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.707541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.564097 (E_RNA)
where:
Base-Base interactions energy: -654.213
where: short stacking energy: -256.319
Base-Backbone interact. energy: -1.825
local terms energy: -290.525845
where:
bonds (distance) C4'-P energy: -53.482
bonds (distance) P-C4' energy: -63.856
flat angles C4'-P-C4' energy: -63.039
flat angles P-C4'-P energy: -47.925
tors. eta vs tors. theta energy: -62.224
Dist. restrs. and SS energy: 3.857 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -965.146028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.146028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.857810 (E_RNA)
where:
Base-Base interactions energy: -705.322
where: short stacking energy: -270.883
Base-Backbone interact. energy: -1.512
local terms energy: -266.023199
where:
bonds (distance) C4'-P energy: -48.677
bonds (distance) P-C4' energy: -54.520
flat angles C4'-P-C4' energy: -54.209
flat angles P-C4'-P energy: -32.730
tors. eta vs tors. theta energy: -75.887
Dist. restrs. and SS energy: 7.712 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -908.216850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.216850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.851251 (E_RNA)
where:
Base-Base interactions energy: -630.585
where: short stacking energy: -261.660
Base-Backbone interact. energy: -1.403
local terms energy: -285.863389
where:
bonds (distance) C4'-P energy: -54.622
bonds (distance) P-C4' energy: -58.351
flat angles C4'-P-C4' energy: -67.186
flat angles P-C4'-P energy: -38.846
tors. eta vs tors. theta energy: -66.860
Dist. restrs. and SS energy: 9.634 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -874.007133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.007133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.820318 (E_RNA)
where:
Base-Base interactions energy: -597.106
where: short stacking energy: -231.127
Base-Backbone interact. energy: -1.580
local terms energy: -279.134431
where:
bonds (distance) C4'-P energy: -52.455
bonds (distance) P-C4' energy: -63.804
flat angles C4'-P-C4' energy: -74.002
flat angles P-C4'-P energy: -36.637
tors. eta vs tors. theta energy: -52.236
Dist. restrs. and SS energy: 3.813 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -853.945739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.945739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.220939 (E_RNA)
where:
Base-Base interactions energy: -608.240
where: short stacking energy: -244.447
Base-Backbone interact. energy: 4.129
local terms energy: -257.109492
where:
bonds (distance) C4'-P energy: -37.989
bonds (distance) P-C4' energy: -48.887
flat angles C4'-P-C4' energy: -65.496
flat angles P-C4'-P energy: -44.424
tors. eta vs tors. theta energy: -60.313
Dist. restrs. and SS energy: 7.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -1220.659239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.659239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.621480 (E_RNA)
where:
Base-Base interactions energy: -877.471
where: short stacking energy: -355.573
Base-Backbone interact. energy: -1.134
local terms energy: -345.016607
where:
bonds (distance) C4'-P energy: -62.414
bonds (distance) P-C4' energy: -68.370
flat angles C4'-P-C4' energy: -70.311
flat angles P-C4'-P energy: -43.075
tors. eta vs tors. theta energy: -100.846
Dist. restrs. and SS energy: 2.962 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -1180.718897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.718897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.793379 (E_RNA)
where:
Base-Base interactions energy: -843.627
where: short stacking energy: -328.643
Base-Backbone interact. energy: -1.459
local terms energy: -338.707655
where:
bonds (distance) C4'-P energy: -62.854
bonds (distance) P-C4' energy: -60.608
flat angles C4'-P-C4' energy: -77.661
flat angles P-C4'-P energy: -55.235
tors. eta vs tors. theta energy: -82.349
Dist. restrs. and SS energy: 3.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -1145.981759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.981759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.287235 (E_RNA)
where:
Base-Base interactions energy: -795.064
where: short stacking energy: -316.942
Base-Backbone interact. energy: -2.008
local terms energy: -352.214858
where:
bonds (distance) C4'-P energy: -60.433
bonds (distance) P-C4' energy: -70.907
flat angles C4'-P-C4' energy: -68.402
flat angles P-C4'-P energy: -61.158
tors. eta vs tors. theta energy: -91.314
Dist. restrs. and SS energy: 3.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -1083.856999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.856999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.305462 (E_RNA)
where:
Base-Base interactions energy: -752.083
where: short stacking energy: -302.565
Base-Backbone interact. energy: -2.930
local terms energy: -332.292539
where:
bonds (distance) C4'-P energy: -72.139
bonds (distance) P-C4' energy: -67.120
flat angles C4'-P-C4' energy: -73.016
flat angles P-C4'-P energy: -47.165
tors. eta vs tors. theta energy: -72.852
Dist. restrs. and SS energy: 3.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -1023.909852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.909852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.886502 (E_RNA)
where:
Base-Base interactions energy: -730.722
where: short stacking energy: -304.651
Base-Backbone interact. energy: -2.921
local terms energy: -300.243246
where:
bonds (distance) C4'-P energy: -52.958
bonds (distance) P-C4' energy: -56.864
flat angles C4'-P-C4' energy: -66.736
flat angles P-C4'-P energy: -40.203
tors. eta vs tors. theta energy: -83.483
Dist. restrs. and SS energy: 9.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -978.967988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.967988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.229712 (E_RNA)
where:
Base-Base interactions energy: -661.001
where: short stacking energy: -270.381
Base-Backbone interact. energy: 0.743
local terms energy: -325.972035
where:
bonds (distance) C4'-P energy: -66.808
bonds (distance) P-C4' energy: -60.983
flat angles C4'-P-C4' energy: -67.835
flat angles P-C4'-P energy: -55.357
tors. eta vs tors. theta energy: -74.989
Dist. restrs. and SS energy: 7.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -948.237974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.237974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.299746 (E_RNA)
where:
Base-Base interactions energy: -642.027
where: short stacking energy: -251.419
Base-Backbone interact. energy: -2.454
local terms energy: -306.818703
where:
bonds (distance) C4'-P energy: -59.710
bonds (distance) P-C4' energy: -62.574
flat angles C4'-P-C4' energy: -66.150
flat angles P-C4'-P energy: -44.042
tors. eta vs tors. theta energy: -74.343
Dist. restrs. and SS energy: 3.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -904.252701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.252701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.663007 (E_RNA)
where:
Base-Base interactions energy: -634.805
where: short stacking energy: -267.267
Base-Backbone interact. energy: -1.509
local terms energy: -274.348476
where:
bonds (distance) C4'-P energy: -54.120
bonds (distance) P-C4' energy: -61.172
flat angles C4'-P-C4' energy: -55.036
flat angles P-C4'-P energy: -33.802
tors. eta vs tors. theta energy: -70.219
Dist. restrs. and SS energy: 6.410 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -875.207224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.207224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.717634 (E_RNA)
where:
Base-Base interactions energy: -631.564
where: short stacking energy: -250.782
Base-Backbone interact. energy: -2.012
local terms energy: -246.142131
where:
bonds (distance) C4'-P energy: -45.331
bonds (distance) P-C4' energy: -54.148
flat angles C4'-P-C4' energy: -59.759
flat angles P-C4'-P energy: -31.656
tors. eta vs tors. theta energy: -55.247
Dist. restrs. and SS energy: 4.510 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -890.901368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.901368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.275641 (E_RNA)
where:
Base-Base interactions energy: -608.161
where: short stacking energy: -240.808
Base-Backbone interact. energy: -1.067
local terms energy: -290.047620
where:
bonds (distance) C4'-P energy: -59.225
bonds (distance) P-C4' energy: -62.157
flat angles C4'-P-C4' energy: -68.898
flat angles P-C4'-P energy: -41.801
tors. eta vs tors. theta energy: -57.966
Dist. restrs. and SS energy: 8.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -1210.689090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.689090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.626309 (E_RNA)
where:
Base-Base interactions energy: -835.330
where: short stacking energy: -346.530
Base-Backbone interact. energy: -1.615
local terms energy: -376.681614
where:
bonds (distance) C4'-P energy: -76.546
bonds (distance) P-C4' energy: -69.489
flat angles C4'-P-C4' energy: -74.864
flat angles P-C4'-P energy: -55.341
tors. eta vs tors. theta energy: -100.441
Dist. restrs. and SS energy: 2.937 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -1166.885393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.885393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.164385 (E_RNA)
where:
Base-Base interactions energy: -836.227
where: short stacking energy: -309.678
Base-Backbone interact. energy: -2.241
local terms energy: -331.696440
where:
bonds (distance) C4'-P energy: -62.189
bonds (distance) P-C4' energy: -66.853
flat angles C4'-P-C4' energy: -75.370
flat angles P-C4'-P energy: -42.591
tors. eta vs tors. theta energy: -84.694
Dist. restrs. and SS energy: 3.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -1147.705093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.705093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.797572 (E_RNA)
where:
Base-Base interactions energy: -793.854
where: short stacking energy: -320.559
Base-Backbone interact. energy: -2.177
local terms energy: -354.766332
where:
bonds (distance) C4'-P energy: -57.718
bonds (distance) P-C4' energy: -73.878
flat angles C4'-P-C4' energy: -76.598
flat angles P-C4'-P energy: -54.012
tors. eta vs tors. theta energy: -92.560
Dist. restrs. and SS energy: 3.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -1064.425550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.425550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.260444 (E_RNA)
where:
Base-Base interactions energy: -724.693
where: short stacking energy: -285.434
Base-Backbone interact. energy: -2.261
local terms energy: -340.306231
where:
bonds (distance) C4'-P energy: -65.566
bonds (distance) P-C4' energy: -76.239
flat angles C4'-P-C4' energy: -72.551
flat angles P-C4'-P energy: -42.322
tors. eta vs tors. theta energy: -83.628
Dist. restrs. and SS energy: 2.835 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -995.824620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.824620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.416424 (E_RNA)
where:
Base-Base interactions energy: -691.940
where: short stacking energy: -276.958
Base-Backbone interact. energy: 1.887
local terms energy: -309.363427
where:
bonds (distance) C4'-P energy: -64.807
bonds (distance) P-C4' energy: -65.881
flat angles C4'-P-C4' energy: -51.040
flat angles P-C4'-P energy: -49.423
tors. eta vs tors. theta energy: -78.212
Dist. restrs. and SS energy: 3.592 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -969.165673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.165673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.480468 (E_RNA)
where:
Base-Base interactions energy: -684.042
where: short stacking energy: -280.165
Base-Backbone interact. energy: 1.853
local terms energy: -293.290942
where:
bonds (distance) C4'-P energy: -51.639
bonds (distance) P-C4' energy: -66.990
flat angles C4'-P-C4' energy: -67.705
flat angles P-C4'-P energy: -35.264
tors. eta vs tors. theta energy: -71.693
Dist. restrs. and SS energy: 6.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -906.629360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.629360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.182492 (E_RNA)
where:
Base-Base interactions energy: -616.552
where: short stacking energy: -230.322
Base-Backbone interact. energy: -1.634
local terms energy: -291.995992
where:
bonds (distance) C4'-P energy: -67.722
bonds (distance) P-C4' energy: -61.874
flat angles C4'-P-C4' energy: -70.136
flat angles P-C4'-P energy: -54.556
tors. eta vs tors. theta energy: -37.707
Dist. restrs. and SS energy: 3.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -929.956516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.956516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.110538 (E_RNA)
where:
Base-Base interactions energy: -658.001
where: short stacking energy: -259.716
Base-Backbone interact. energy: -0.737
local terms energy: -274.372625
where:
bonds (distance) C4'-P energy: -41.838
bonds (distance) P-C4' energy: -47.276
flat angles C4'-P-C4' energy: -63.155
flat angles P-C4'-P energy: -47.225
tors. eta vs tors. theta energy: -74.879
Dist. restrs. and SS energy: 3.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -887.282717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.282717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.371920 (E_RNA)
where:
Base-Base interactions energy: -615.625
where: short stacking energy: -228.300
Base-Backbone interact. energy: -1.175
local terms energy: -274.571655
where:
bonds (distance) C4'-P energy: -53.199
bonds (distance) P-C4' energy: -54.928
flat angles C4'-P-C4' energy: -62.214
flat angles P-C4'-P energy: -45.949
tors. eta vs tors. theta energy: -58.282
Dist. restrs. and SS energy: 4.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -905.981653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.981653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.005106 (E_RNA)
where:
Base-Base interactions energy: -643.309
where: short stacking energy: -259.644
Base-Backbone interact. energy: -1.478
local terms energy: -267.218029
where:
bonds (distance) C4'-P energy: -45.508
bonds (distance) P-C4' energy: -63.585
flat angles C4'-P-C4' energy: -59.777
flat angles P-C4'-P energy: -31.003
tors. eta vs tors. theta energy: -67.346
Dist. restrs. and SS energy: 6.023 (S_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: 271
Temperature: 0.900000
Total energy: -1214.145982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.145982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.415072 (E_RNA)
where:
Base-Base interactions energy: -861.016
where: short stacking energy: -358.711
Base-Backbone interact. energy: -3.411
local terms energy: -352.987629
where:
bonds (distance) C4'-P energy: -67.206
bonds (distance) P-C4' energy: -62.213
flat angles C4'-P-C4' energy: -77.402
flat angles P-C4'-P energy: -47.435
tors. eta vs tors. theta energy: -98.731
Dist. restrs. and SS energy: 3.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -1171.418465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.418465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.418912 (E_RNA)
where:
Base-Base interactions energy: -805.682
where: short stacking energy: -331.659
Base-Backbone interact. energy: 0.435
local terms energy: -370.171606
where:
bonds (distance) C4'-P energy: -66.236
bonds (distance) P-C4' energy: -79.921
flat angles C4'-P-C4' energy: -73.974
flat angles P-C4'-P energy: -51.063
tors. eta vs tors. theta energy: -98.978
Dist. restrs. and SS energy: 4.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -1161.273237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.273237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.548286 (E_RNA)
where:
Base-Base interactions energy: -818.097
where: short stacking energy: -320.598
Base-Backbone interact. energy: -3.780
local terms energy: -342.671433
where:
bonds (distance) C4'-P energy: -69.768
bonds (distance) P-C4' energy: -69.198
flat angles C4'-P-C4' energy: -69.596
flat angles P-C4'-P energy: -45.426
tors. eta vs tors. theta energy: -88.684
Dist. restrs. and SS energy: 3.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -1082.214541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.214541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.631777 (E_RNA)
where:
Base-Base interactions energy: -756.483
where: short stacking energy: -297.355
Base-Backbone interact. energy: -1.189
local terms energy: -327.959437
where:
bonds (distance) C4'-P energy: -55.402
bonds (distance) P-C4' energy: -66.469
flat angles C4'-P-C4' energy: -68.905
flat angles P-C4'-P energy: -51.838
tors. eta vs tors. theta energy: -85.345
Dist. restrs. and SS energy: 3.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -985.714451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.714451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.119796 (E_RNA)
where:
Base-Base interactions energy: -688.726
where: short stacking energy: -273.093
Base-Backbone interact. energy: 0.075
local terms energy: -300.468822
where:
bonds (distance) C4'-P energy: -60.946
bonds (distance) P-C4' energy: -55.182
flat angles C4'-P-C4' energy: -62.838
flat angles P-C4'-P energy: -50.802
tors. eta vs tors. theta energy: -70.701
Dist. restrs. and SS energy: 3.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -908.562351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.562351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.989113 (E_RNA)
where:
Base-Base interactions energy: -621.476
where: short stacking energy: -240.963
Base-Backbone interact. energy: 2.047
local terms energy: -297.559436
where:
bonds (distance) C4'-P energy: -71.740
bonds (distance) P-C4' energy: -64.985
flat angles C4'-P-C4' energy: -59.947
flat angles P-C4'-P energy: -41.034
tors. eta vs tors. theta energy: -59.854
Dist. restrs. and SS energy: 8.427 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -910.770303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.770303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.837653 (E_RNA)
where:
Base-Base interactions energy: -643.484
where: short stacking energy: -245.657
Base-Backbone interact. energy: -1.263
local terms energy: -273.090352
where:
bonds (distance) C4'-P energy: -44.741
bonds (distance) P-C4' energy: -54.910
flat angles C4'-P-C4' energy: -69.544
flat angles P-C4'-P energy: -44.526
tors. eta vs tors. theta energy: -59.370
Dist. restrs. and SS energy: 7.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -907.044848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.044848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.251090 (E_RNA)
where:
Base-Base interactions energy: -636.497
where: short stacking energy: -247.760
Base-Backbone interact. energy: -2.252
local terms energy: -272.502154
where:
bonds (distance) C4'-P energy: -44.360
bonds (distance) P-C4' energy: -62.784
flat angles C4'-P-C4' energy: -62.621
flat angles P-C4'-P energy: -43.082
tors. eta vs tors. theta energy: -59.656
Dist. restrs. and SS energy: 4.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -868.143158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.143158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.350450 (E_RNA)
where:
Base-Base interactions energy: -599.312
where: short stacking energy: -250.296
Base-Backbone interact. energy: -2.451
local terms energy: -273.586872
where:
bonds (distance) C4'-P energy: -48.773
bonds (distance) P-C4' energy: -59.721
flat angles C4'-P-C4' energy: -63.212
flat angles P-C4'-P energy: -40.947
tors. eta vs tors. theta energy: -60.933
Dist. restrs. and SS energy: 7.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -867.019205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.019205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.784932 (E_RNA)
where:
Base-Base interactions energy: -595.456
where: short stacking energy: -239.721
Base-Backbone interact. energy: -0.560
local terms energy: -276.769053
where:
bonds (distance) C4'-P energy: -66.539
bonds (distance) P-C4' energy: -55.726
flat angles C4'-P-C4' energy: -71.046
flat angles P-C4'-P energy: -26.171
tors. eta vs tors. theta energy: -57.287
Dist. restrs. and SS energy: 5.766 (S_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: 272
Temperature: 0.900000
Total energy: -1206.676974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.676974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.187596 (E_RNA)
where:
Base-Base interactions energy: -847.209
where: short stacking energy: -341.185
Base-Backbone interact. energy: 1.162
local terms energy: -365.140864
where:
bonds (distance) C4'-P energy: -69.505
bonds (distance) P-C4' energy: -75.004
flat angles C4'-P-C4' energy: -70.336
flat angles P-C4'-P energy: -50.010
tors. eta vs tors. theta energy: -100.286
Dist. restrs. and SS energy: 4.511 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -1188.595464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.595464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.522754 (E_RNA)
where:
Base-Base interactions energy: -827.220
where: short stacking energy: -335.744
Base-Backbone interact. energy: -2.999
local terms energy: -362.303489
where:
bonds (distance) C4'-P energy: -66.119
bonds (distance) P-C4' energy: -64.526
flat angles C4'-P-C4' energy: -75.715
flat angles P-C4'-P energy: -53.265
tors. eta vs tors. theta energy: -102.679
Dist. restrs. and SS energy: 3.927 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -1178.596215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.596215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.755526 (E_RNA)
where:
Base-Base interactions energy: -843.879
where: short stacking energy: -332.059
Base-Backbone interact. energy: -2.582
local terms energy: -335.294464
where:
bonds (distance) C4'-P energy: -65.949
bonds (distance) P-C4' energy: -58.073
flat angles C4'-P-C4' energy: -66.856
flat angles P-C4'-P energy: -49.816
tors. eta vs tors. theta energy: -94.601
Dist. restrs. and SS energy: 3.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -1091.419744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.419744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.458811 (E_RNA)
where:
Base-Base interactions energy: -766.226
where: short stacking energy: -326.579
Base-Backbone interact. energy: -0.842
local terms energy: -328.390532
where:
bonds (distance) C4'-P energy: -59.773
bonds (distance) P-C4' energy: -56.511
flat angles C4'-P-C4' energy: -71.146
flat angles P-C4'-P energy: -52.461
tors. eta vs tors. theta energy: -88.500
Dist. restrs. and SS energy: 4.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -1001.694131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.694131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.892300 (E_RNA)
where:
Base-Base interactions energy: -695.133
where: short stacking energy: -278.412
Base-Backbone interact. energy: -3.129
local terms energy: -309.630621
where:
bonds (distance) C4'-P energy: -65.186
bonds (distance) P-C4' energy: -58.770
flat angles C4'-P-C4' energy: -62.564
flat angles P-C4'-P energy: -45.462
tors. eta vs tors. theta energy: -77.649
Dist. restrs. and SS energy: 6.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -974.116875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.116875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.713817 (E_RNA)
where:
Base-Base interactions energy: -674.136
where: short stacking energy: -264.766
Base-Backbone interact. energy: -0.037
local terms energy: -304.540769
where:
bonds (distance) C4'-P energy: -53.007
bonds (distance) P-C4' energy: -64.834
flat angles C4'-P-C4' energy: -73.163
flat angles P-C4'-P energy: -42.534
tors. eta vs tors. theta energy: -71.003
Dist. restrs. and SS energy: 4.597 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -914.276517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.276517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.384475 (E_RNA)
where:
Base-Base interactions energy: -627.660
where: short stacking energy: -235.777
Base-Backbone interact. energy: 0.588
local terms energy: -292.312880
where:
bonds (distance) C4'-P energy: -51.138
bonds (distance) P-C4' energy: -58.248
flat angles C4'-P-C4' energy: -70.538
flat angles P-C4'-P energy: -48.866
tors. eta vs tors. theta energy: -63.523
Dist. restrs. and SS energy: 5.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -890.751869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.751869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.150345 (E_RNA)
where:
Base-Base interactions energy: -622.344
where: short stacking energy: -262.726
Base-Backbone interact. energy: -1.419
local terms energy: -270.387508
where:
bonds (distance) C4'-P energy: -48.949
bonds (distance) P-C4' energy: -62.097
flat angles C4'-P-C4' energy: -64.515
flat angles P-C4'-P energy: -34.888
tors. eta vs tors. theta energy: -59.939
Dist. restrs. and SS energy: 3.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -875.748348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.748348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.070340 (E_RNA)
where:
Base-Base interactions energy: -621.934
where: short stacking energy: -246.353
Base-Backbone interact. energy: -0.694
local terms energy: -260.442193
where:
bonds (distance) C4'-P energy: -54.639
bonds (distance) P-C4' energy: -54.998
flat angles C4'-P-C4' energy: -59.717
flat angles P-C4'-P energy: -27.411
tors. eta vs tors. theta energy: -63.677
Dist. restrs. and SS energy: 7.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -872.095853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.095853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.178582 (E_RNA)
where:
Base-Base interactions energy: -609.209
where: short stacking energy: -240.458
Base-Backbone interact. energy: -1.391
local terms energy: -266.578765
where:
bonds (distance) C4'-P energy: -56.463
bonds (distance) P-C4' energy: -51.991
flat angles C4'-P-C4' energy: -65.732
flat angles P-C4'-P energy: -41.362
tors. eta vs tors. theta energy: -51.031
Dist. restrs. and SS energy: 5.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -1207.595744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.595744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.490209 (E_RNA)
where:
Base-Base interactions energy: -839.356
where: short stacking energy: -354.445
Base-Backbone interact. energy: -0.767
local terms energy: -372.367609
where:
bonds (distance) C4'-P energy: -58.486
bonds (distance) P-C4' energy: -72.457
flat angles C4'-P-C4' energy: -82.259
flat angles P-C4'-P energy: -53.505
tors. eta vs tors. theta energy: -105.661
Dist. restrs. and SS energy: 4.894 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -1165.026553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.026553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.218115 (E_RNA)
where:
Base-Base interactions energy: -798.452
where: short stacking energy: -321.907
Base-Backbone interact. energy: -4.296
local terms energy: -365.470824
where:
bonds (distance) C4'-P energy: -69.632
bonds (distance) P-C4' energy: -66.356
flat angles C4'-P-C4' energy: -78.586
flat angles P-C4'-P energy: -51.648
tors. eta vs tors. theta energy: -99.249
Dist. restrs. and SS energy: 3.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -1150.481308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.481308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.009240 (E_RNA)
where:
Base-Base interactions energy: -801.914
where: short stacking energy: -328.947
Base-Backbone interact. energy: -1.474
local terms energy: -350.620956
where:
bonds (distance) C4'-P energy: -69.927
bonds (distance) P-C4' energy: -71.947
flat angles C4'-P-C4' energy: -61.677
flat angles P-C4'-P energy: -50.778
tors. eta vs tors. theta energy: -96.292
Dist. restrs. and SS energy: 3.528 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -1100.586822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.586822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.811596 (E_RNA)
where:
Base-Base interactions energy: -778.570
where: short stacking energy: -320.210
Base-Backbone interact. energy: -4.280
local terms energy: -320.961327
where:
bonds (distance) C4'-P energy: -59.599
bonds (distance) P-C4' energy: -61.206
flat angles C4'-P-C4' energy: -67.432
flat angles P-C4'-P energy: -47.920
tors. eta vs tors. theta energy: -84.804
Dist. restrs. and SS energy: 3.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -979.841792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.841792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.442011 (E_RNA)
where:
Base-Base interactions energy: -681.748
where: short stacking energy: -270.293
Base-Backbone interact. energy: -1.398
local terms energy: -300.295910
where:
bonds (distance) C4'-P energy: -59.513
bonds (distance) P-C4' energy: -60.118
flat angles C4'-P-C4' energy: -66.152
flat angles P-C4'-P energy: -41.857
tors. eta vs tors. theta energy: -72.656
Dist. restrs. and SS energy: 3.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -960.940376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.940376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.020320 (E_RNA)
where:
Base-Base interactions energy: -669.165
where: short stacking energy: -279.480
Base-Backbone interact. energy: -0.018
local terms energy: -302.837139
where:
bonds (distance) C4'-P energy: -60.460
bonds (distance) P-C4' energy: -57.914
flat angles C4'-P-C4' energy: -60.316
flat angles P-C4'-P energy: -45.746
tors. eta vs tors. theta energy: -78.402
Dist. restrs. and SS energy: 11.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -961.906301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.906301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.831196 (E_RNA)
where:
Base-Base interactions energy: -660.778
where: short stacking energy: -257.304
Base-Backbone interact. energy: -0.353
local terms energy: -306.700636
where:
bonds (distance) C4'-P energy: -61.182
bonds (distance) P-C4' energy: -65.106
flat angles C4'-P-C4' energy: -77.716
flat angles P-C4'-P energy: -35.709
tors. eta vs tors. theta energy: -66.987
Dist. restrs. and SS energy: 5.925 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -906.185196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.185196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.509215 (E_RNA)
where:
Base-Base interactions energy: -623.289
where: short stacking energy: -255.954
Base-Backbone interact. energy: 0.677
local terms energy: -287.897946
where:
bonds (distance) C4'-P energy: -50.645
bonds (distance) P-C4' energy: -58.463
flat angles C4'-P-C4' energy: -69.474
flat angles P-C4'-P energy: -35.947
tors. eta vs tors. theta energy: -73.370
Dist. restrs. and SS energy: 4.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -891.353183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.353183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.617654 (E_RNA)
where:
Base-Base interactions energy: -640.077
where: short stacking energy: -259.777
Base-Backbone interact. energy: -0.460
local terms energy: -258.080719
where:
bonds (distance) C4'-P energy: -52.404
bonds (distance) P-C4' energy: -57.586
flat angles C4'-P-C4' energy: -54.388
flat angles P-C4'-P energy: -34.196
tors. eta vs tors. theta energy: -59.507
Dist. restrs. and SS energy: 7.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -866.676543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.676543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.859190 (E_RNA)
where:
Base-Base interactions energy: -618.656
where: short stacking energy: -223.445
Base-Backbone interact. energy: -1.122
local terms energy: -255.081019
where:
bonds (distance) C4'-P energy: -48.065
bonds (distance) P-C4' energy: -58.988
flat angles C4'-P-C4' energy: -51.200
flat angles P-C4'-P energy: -44.302
tors. eta vs tors. theta energy: -52.526
Dist. restrs. and SS energy: 8.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -1214.354827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.354827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.394692 (E_RNA)
where:
Base-Base interactions energy: -854.117
where: short stacking energy: -350.430
Base-Backbone interact. energy: -0.092
local terms energy: -364.185911
where:
bonds (distance) C4'-P energy: -67.890
bonds (distance) P-C4' energy: -67.082
flat angles C4'-P-C4' energy: -79.923
flat angles P-C4'-P energy: -43.976
tors. eta vs tors. theta energy: -105.314
Dist. restrs. and SS energy: 4.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -1169.155220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.155220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.799370 (E_RNA)
where:
Base-Base interactions energy: -814.037
where: short stacking energy: -340.466
Base-Backbone interact. energy: 0.912
local terms energy: -358.674210
where:
bonds (distance) C4'-P energy: -69.040
bonds (distance) P-C4' energy: -74.288
flat angles C4'-P-C4' energy: -71.606
flat angles P-C4'-P energy: -55.098
tors. eta vs tors. theta energy: -88.641
Dist. restrs. and SS energy: 2.644 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -1157.175821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.175821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.603363 (E_RNA)
where:
Base-Base interactions energy: -828.119
where: short stacking energy: -334.419
Base-Backbone interact. energy: -3.750
local terms energy: -328.734286
where:
bonds (distance) C4'-P energy: -57.286
bonds (distance) P-C4' energy: -57.148
flat angles C4'-P-C4' energy: -74.345
flat angles P-C4'-P energy: -53.444
tors. eta vs tors. theta energy: -86.512
Dist. restrs. and SS energy: 3.428 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -1090.222328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.222328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.723058 (E_RNA)
where:
Base-Base interactions energy: -774.083
where: short stacking energy: -324.662
Base-Backbone interact. energy: 1.565
local terms energy: -322.204359
where:
bonds (distance) C4'-P energy: -55.555
bonds (distance) P-C4' energy: -63.430
flat angles C4'-P-C4' energy: -70.963
flat angles P-C4'-P energy: -46.412
tors. eta vs tors. theta energy: -85.844
Dist. restrs. and SS energy: 4.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -984.063822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.063822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.138808 (E_RNA)
where:
Base-Base interactions energy: -694.969
where: short stacking energy: -294.933
Base-Backbone interact. energy: -1.113
local terms energy: -292.057030
where:
bonds (distance) C4'-P energy: -51.182
bonds (distance) P-C4' energy: -61.171
flat angles C4'-P-C4' energy: -70.853
flat angles P-C4'-P energy: -43.406
tors. eta vs tors. theta energy: -65.445
Dist. restrs. and SS energy: 4.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -968.267894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.267894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.778343 (E_RNA)
where:
Base-Base interactions energy: -657.842
where: short stacking energy: -285.360
Base-Backbone interact. energy: -2.595
local terms energy: -311.341195
where:
bonds (distance) C4'-P energy: -53.899
bonds (distance) P-C4' energy: -62.017
flat angles C4'-P-C4' energy: -71.231
flat angles P-C4'-P energy: -51.436
tors. eta vs tors. theta energy: -72.758
Dist. restrs. and SS energy: 3.510 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -947.477899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.477899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.674437 (E_RNA)
where:
Base-Base interactions energy: -681.565
where: short stacking energy: -262.702
Base-Backbone interact. energy: -2.964
local terms energy: -268.145538
where:
bonds (distance) C4'-P energy: -32.134
bonds (distance) P-C4' energy: -53.985
flat angles C4'-P-C4' energy: -67.763
flat angles P-C4'-P energy: -42.699
tors. eta vs tors. theta energy: -71.565
Dist. restrs. and SS energy: 5.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -924.821352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.821352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.526481 (E_RNA)
where:
Base-Base interactions energy: -662.178
where: short stacking energy: -266.928
Base-Backbone interact. energy: 0.547
local terms energy: -271.895469
where:
bonds (distance) C4'-P energy: -51.939
bonds (distance) P-C4' energy: -58.790
flat angles C4'-P-C4' energy: -68.034
flat angles P-C4'-P energy: -26.435
tors. eta vs tors. theta energy: -66.698
Dist. restrs. and SS energy: 8.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -877.181389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.181389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.640792 (E_RNA)
where:
Base-Base interactions energy: -607.290
where: short stacking energy: -247.065
Base-Backbone interact. energy: 2.114
local terms energy: -277.464993
where:
bonds (distance) C4'-P energy: -42.853
bonds (distance) P-C4' energy: -65.969
flat angles C4'-P-C4' energy: -62.042
flat angles P-C4'-P energy: -44.677
tors. eta vs tors. theta energy: -61.924
Dist. restrs. and SS energy: 5.459 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -877.372085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.372085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.651998 (E_RNA)
where:
Base-Base interactions energy: -627.749
where: short stacking energy: -247.075
Base-Backbone interact. energy: -0.398
local terms energy: -254.504363
where:
bonds (distance) C4'-P energy: -54.297
bonds (distance) P-C4' energy: -47.583
flat angles C4'-P-C4' energy: -57.676
flat angles P-C4'-P energy: -40.697
tors. eta vs tors. theta energy: -54.251
Dist. restrs. and SS energy: 5.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -1214.306886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.306886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.019820 (E_RNA)
where:
Base-Base interactions energy: -839.928
where: short stacking energy: -362.206
Base-Backbone interact. energy: -3.159
local terms energy: -375.933308
where:
bonds (distance) C4'-P energy: -64.587
bonds (distance) P-C4' energy: -70.604
flat angles C4'-P-C4' energy: -76.899
flat angles P-C4'-P energy: -58.351
tors. eta vs tors. theta energy: -105.493
Dist. restrs. and SS energy: 4.713 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -1162.546291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.546291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.606719 (E_RNA)
where:
Base-Base interactions energy: -820.458
where: short stacking energy: -334.162
Base-Backbone interact. energy: -0.981
local terms energy: -344.167383
where:
bonds (distance) C4'-P energy: -65.524
bonds (distance) P-C4' energy: -62.604
flat angles C4'-P-C4' energy: -78.307
flat angles P-C4'-P energy: -44.277
tors. eta vs tors. theta energy: -93.456
Dist. restrs. and SS energy: 3.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -1118.874031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.874031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.642477 (E_RNA)
where:
Base-Base interactions energy: -776.162
where: short stacking energy: -315.725
Base-Backbone interact. energy: -3.433
local terms energy: -342.048362
where:
bonds (distance) C4'-P energy: -65.346
bonds (distance) P-C4' energy: -64.812
flat angles C4'-P-C4' energy: -76.471
flat angles P-C4'-P energy: -45.459
tors. eta vs tors. theta energy: -89.961
Dist. restrs. and SS energy: 2.768 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -1021.703225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.703225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.740940 (E_RNA)
where:
Base-Base interactions energy: -714.617
where: short stacking energy: -289.147
Base-Backbone interact. energy: -1.028
local terms energy: -310.096306
where:
bonds (distance) C4'-P energy: -60.979
bonds (distance) P-C4' energy: -57.537
flat angles C4'-P-C4' energy: -64.131
flat angles P-C4'-P energy: -56.233
tors. eta vs tors. theta energy: -71.216
Dist. restrs. and SS energy: 4.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -1044.783089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.783089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.016773 (E_RNA)
where:
Base-Base interactions energy: -744.616
where: short stacking energy: -295.514
Base-Backbone interact. energy: 0.729
local terms energy: -304.129857
where:
bonds (distance) C4'-P energy: -53.960
bonds (distance) P-C4' energy: -58.408
flat angles C4'-P-C4' energy: -63.114
flat angles P-C4'-P energy: -45.258
tors. eta vs tors. theta energy: -83.390
Dist. restrs. and SS energy: 3.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -955.636534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.636534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.475983 (E_RNA)
where:
Base-Base interactions energy: -662.120
where: short stacking energy: -271.849
Base-Backbone interact. energy: 0.006
local terms energy: -301.362027
where:
bonds (distance) C4'-P energy: -62.013
bonds (distance) P-C4' energy: -58.723
flat angles C4'-P-C4' energy: -68.719
flat angles P-C4'-P energy: -43.560
tors. eta vs tors. theta energy: -68.346
Dist. restrs. and SS energy: 7.839 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -995.345153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.345153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.644116 (E_RNA)
where:
Base-Base interactions energy: -697.771
where: short stacking energy: -289.507
Base-Backbone interact. energy: -1.121
local terms energy: -302.751810
where:
bonds (distance) C4'-P energy: -54.890
bonds (distance) P-C4' energy: -57.390
flat angles C4'-P-C4' energy: -70.812
flat angles P-C4'-P energy: -44.388
tors. eta vs tors. theta energy: -75.272
Dist. restrs. and SS energy: 6.299 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -911.972416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.972416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.056308 (E_RNA)
where:
Base-Base interactions energy: -642.539
where: short stacking energy: -255.209
Base-Backbone interact. energy: -1.255
local terms energy: -278.262248
where:
bonds (distance) C4'-P energy: -56.861
bonds (distance) P-C4' energy: -55.332
flat angles C4'-P-C4' energy: -64.414
flat angles P-C4'-P energy: -36.232
tors. eta vs tors. theta energy: -65.423
Dist. restrs. and SS energy: 10.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -852.770089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.770089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.495076 (E_RNA)
where:
Base-Base interactions energy: -600.439
where: short stacking energy: -232.514
Base-Backbone interact. energy: -1.252
local terms energy: -261.804541
where:
bonds (distance) C4'-P energy: -53.123
bonds (distance) P-C4' energy: -62.188
flat angles C4'-P-C4' energy: -54.987
flat angles P-C4'-P energy: -41.735
tors. eta vs tors. theta energy: -49.771
Dist. restrs. and SS energy: 10.725 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -854.339751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.339751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.688791 (E_RNA)
where:
Base-Base interactions energy: -613.517
where: short stacking energy: -225.773
Base-Backbone interact. energy: 5.963
local terms energy: -257.135171
where:
bonds (distance) C4'-P energy: -51.092
bonds (distance) P-C4' energy: -48.034
flat angles C4'-P-C4' energy: -56.878
flat angles P-C4'-P energy: -43.824
tors. eta vs tors. theta energy: -57.307
Dist. restrs. and SS energy: 10.349 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -1229.801791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.801791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.913742 (E_RNA)
where:
Base-Base interactions energy: -845.131
where: short stacking energy: -350.660
Base-Backbone interact. energy: -1.519
local terms energy: -387.263336
where:
bonds (distance) C4'-P energy: -78.550
bonds (distance) P-C4' energy: -69.096
flat angles C4'-P-C4' energy: -78.339
flat angles P-C4'-P energy: -57.107
tors. eta vs tors. theta energy: -104.171
Dist. restrs. and SS energy: 4.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -1167.246826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.246826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.265576 (E_RNA)
where:
Base-Base interactions energy: -826.999
where: short stacking energy: -333.300
Base-Backbone interact. energy: -1.222
local terms energy: -342.044632
where:
bonds (distance) C4'-P energy: -60.942
bonds (distance) P-C4' energy: -71.652
flat angles C4'-P-C4' energy: -76.417
flat angles P-C4'-P energy: -51.702
tors. eta vs tors. theta energy: -81.332
Dist. restrs. and SS energy: 3.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -1155.124572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.124572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.875737 (E_RNA)
where:
Base-Base interactions energy: -802.795
where: short stacking energy: -329.404
Base-Backbone interact. energy: -0.095
local terms energy: -354.985727
where:
bonds (distance) C4'-P energy: -67.764
bonds (distance) P-C4' energy: -65.600
flat angles C4'-P-C4' energy: -69.409
flat angles P-C4'-P energy: -52.896
tors. eta vs tors. theta energy: -99.317
Dist. restrs. and SS energy: 2.751 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -1050.043048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.043048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.624683 (E_RNA)
where:
Base-Base interactions energy: -716.797
where: short stacking energy: -279.623
Base-Backbone interact. energy: -3.056
local terms energy: -333.772049
where:
bonds (distance) C4'-P energy: -63.468
bonds (distance) P-C4' energy: -70.356
flat angles C4'-P-C4' energy: -74.360
flat angles P-C4'-P energy: -54.715
tors. eta vs tors. theta energy: -70.873
Dist. restrs. and SS energy: 3.582 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -1024.820473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.820473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.304084 (E_RNA)
where:
Base-Base interactions energy: -731.872
where: short stacking energy: -287.905
Base-Backbone interact. energy: -0.429
local terms energy: -297.003163
where:
bonds (distance) C4'-P energy: -57.706
bonds (distance) P-C4' energy: -64.370
flat angles C4'-P-C4' energy: -61.537
flat angles P-C4'-P energy: -46.660
tors. eta vs tors. theta energy: -66.731
Dist. restrs. and SS energy: 4.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -935.778968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.778968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.812423 (E_RNA)
where:
Base-Base interactions energy: -660.159
where: short stacking energy: -267.096
Base-Backbone interact. energy: -0.131
local terms energy: -282.521992
where:
bonds (distance) C4'-P energy: -56.710
bonds (distance) P-C4' energy: -63.910
flat angles C4'-P-C4' energy: -53.360
flat angles P-C4'-P energy: -44.078
tors. eta vs tors. theta energy: -64.464
Dist. restrs. and SS energy: 7.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -919.489331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.489331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.768020 (E_RNA)
where:
Base-Base interactions energy: -643.140
where: short stacking energy: -261.374
Base-Backbone interact. energy: 2.301
local terms energy: -285.928291
where:
bonds (distance) C4'-P energy: -59.202
bonds (distance) P-C4' energy: -61.496
flat angles C4'-P-C4' energy: -64.202
flat angles P-C4'-P energy: -38.052
tors. eta vs tors. theta energy: -62.976
Dist. restrs. and SS energy: 7.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -910.564292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.564292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.719979 (E_RNA)
where:
Base-Base interactions energy: -631.693
where: short stacking energy: -262.336
Base-Backbone interact. energy: -0.273
local terms energy: -285.754185
where:
bonds (distance) C4'-P energy: -58.550
bonds (distance) P-C4' energy: -58.175
flat angles C4'-P-C4' energy: -62.315
flat angles P-C4'-P energy: -43.093
tors. eta vs tors. theta energy: -63.621
Dist. restrs. and SS energy: 7.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -870.706774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.706774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.059933 (E_RNA)
where:
Base-Base interactions energy: -596.182
where: short stacking energy: -226.093
Base-Backbone interact. energy: -0.057
local terms energy: -278.820526
where:
bonds (distance) C4'-P energy: -48.025
bonds (distance) P-C4' energy: -55.242
flat angles C4'-P-C4' energy: -68.763
flat angles P-C4'-P energy: -44.306
tors. eta vs tors. theta energy: -62.484
Dist. restrs. and SS energy: 4.353 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -823.919718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.919718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.992814 (E_RNA)
where:
Base-Base interactions energy: -589.613
where: short stacking energy: -230.380
Base-Backbone interact. energy: -0.253
local terms energy: -244.126962
where:
bonds (distance) C4'-P energy: -53.423
bonds (distance) P-C4' energy: -58.851
flat angles C4'-P-C4' energy: -54.451
flat angles P-C4'-P energy: -26.676
tors. eta vs tors. theta energy: -50.726
Dist. restrs. and SS energy: 10.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -1222.114037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.114037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.480880 (E_RNA)
where:
Base-Base interactions energy: -856.363
where: short stacking energy: -347.584
Base-Backbone interact. energy: -2.018
local terms energy: -367.100484
where:
bonds (distance) C4'-P energy: -64.254
bonds (distance) P-C4' energy: -57.778
flat angles C4'-P-C4' energy: -79.263
flat angles P-C4'-P energy: -56.278
tors. eta vs tors. theta energy: -109.528
Dist. restrs. and SS energy: 3.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -1167.369823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.369823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.578712 (E_RNA)
where:
Base-Base interactions energy: -825.978
where: short stacking energy: -325.696
Base-Backbone interact. energy: -2.886
local terms energy: -341.714752
where:
bonds (distance) C4'-P energy: -52.990
bonds (distance) P-C4' energy: -72.109
flat angles C4'-P-C4' energy: -76.098
flat angles P-C4'-P energy: -51.817
tors. eta vs tors. theta energy: -88.701
Dist. restrs. and SS energy: 3.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -1160.498983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.498983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.595009 (E_RNA)
where:
Base-Base interactions energy: -820.485
where: short stacking energy: -331.997
Base-Backbone interact. energy: 1.043
local terms energy: -344.153043
where:
bonds (distance) C4'-P energy: -59.882
bonds (distance) P-C4' energy: -64.095
flat angles C4'-P-C4' energy: -73.404
flat angles P-C4'-P energy: -49.035
tors. eta vs tors. theta energy: -97.738
Dist. restrs. and SS energy: 3.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -1055.983264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.983264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.191950 (E_RNA)
where:
Base-Base interactions energy: -736.129
where: short stacking energy: -296.230
Base-Backbone interact. energy: -0.880
local terms energy: -324.183344
where:
bonds (distance) C4'-P energy: -57.602
bonds (distance) P-C4' energy: -74.523
flat angles C4'-P-C4' energy: -74.436
flat angles P-C4'-P energy: -43.793
tors. eta vs tors. theta energy: -73.829
Dist. restrs. and SS energy: 5.209 (S_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: 277
Temperature: 1.100000
Total energy: -1067.554023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.554023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.553668 (E_RNA)
where:
Base-Base interactions energy: -755.162
where: short stacking energy: -310.414
Base-Backbone interact. energy: -3.875
local terms energy: -311.517041
where:
bonds (distance) C4'-P energy: -58.233
bonds (distance) P-C4' energy: -52.731
flat angles C4'-P-C4' energy: -77.617
flat angles P-C4'-P energy: -39.964
tors. eta vs tors. theta energy: -82.972
Dist. restrs. and SS energy: 3.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -976.991660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.991660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.945119 (E_RNA)
where:
Base-Base interactions energy: -686.327
where: short stacking energy: -267.823
Base-Backbone interact. energy: -0.652
local terms energy: -293.965990
where:
bonds (distance) C4'-P energy: -54.273
bonds (distance) P-C4' energy: -64.838
flat angles C4'-P-C4' energy: -62.454
flat angles P-C4'-P energy: -46.886
tors. eta vs tors. theta energy: -65.515
Dist. restrs. and SS energy: 3.953 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -935.891859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.891859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.688320 (E_RNA)
where:
Base-Base interactions energy: -643.209
where: short stacking energy: -266.899
Base-Backbone interact. energy: -1.774
local terms energy: -295.705723
where:
bonds (distance) C4'-P energy: -49.393
bonds (distance) P-C4' energy: -61.718
flat angles C4'-P-C4' energy: -64.965
flat angles P-C4'-P energy: -45.760
tors. eta vs tors. theta energy: -73.870
Dist. restrs. and SS energy: 4.796 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -899.403806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.403806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.240591 (E_RNA)
where:
Base-Base interactions energy: -623.146
where: short stacking energy: -240.199
Base-Backbone interact. energy: -0.965
local terms energy: -283.129129
where:
bonds (distance) C4'-P energy: -55.108
bonds (distance) P-C4' energy: -63.789
flat angles C4'-P-C4' energy: -61.806
flat angles P-C4'-P energy: -40.113
tors. eta vs tors. theta energy: -62.314
Dist. restrs. and SS energy: 7.837 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -892.307794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.307794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.858886 (E_RNA)
where:
Base-Base interactions energy: -633.791
where: short stacking energy: -258.595
Base-Backbone interact. energy: -0.346
local terms energy: -265.721804
where:
bonds (distance) C4'-P energy: -44.796
bonds (distance) P-C4' energy: -48.675
flat angles C4'-P-C4' energy: -64.443
flat angles P-C4'-P energy: -43.846
tors. eta vs tors. theta energy: -63.960
Dist. restrs. and SS energy: 7.551 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -772.056488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.056488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.769675 (E_RNA)
where:
Base-Base interactions energy: -533.052
where: short stacking energy: -198.539
Base-Backbone interact. energy: -2.143
local terms energy: -249.574542
where:
bonds (distance) C4'-P energy: -44.373
bonds (distance) P-C4' energy: -56.112
flat angles C4'-P-C4' energy: -61.238
flat angles P-C4'-P energy: -40.432
tors. eta vs tors. theta energy: -47.419
Dist. restrs. and SS energy: 12.713 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -1226.355093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.355093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.261942 (E_RNA)
where:
Base-Base interactions energy: -848.988
where: short stacking energy: -353.257
Base-Backbone interact. energy: -1.143
local terms energy: -379.131045
where:
bonds (distance) C4'-P energy: -65.990
bonds (distance) P-C4' energy: -77.795
flat angles C4'-P-C4' energy: -76.109
flat angles P-C4'-P energy: -56.280
tors. eta vs tors. theta energy: -102.957
Dist. restrs. and SS energy: 2.907 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -1158.543593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.543593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.584687 (E_RNA)
where:
Base-Base interactions energy: -806.733
where: short stacking energy: -314.253
Base-Backbone interact. energy: -1.854
local terms energy: -352.997284
where:
bonds (distance) C4'-P energy: -63.438
bonds (distance) P-C4' energy: -70.886
flat angles C4'-P-C4' energy: -85.125
flat angles P-C4'-P energy: -53.762
tors. eta vs tors. theta energy: -79.786
Dist. restrs. and SS energy: 3.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -1149.970714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.970714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.157183 (E_RNA)
where:
Base-Base interactions energy: -812.967
where: short stacking energy: -328.522
Base-Backbone interact. energy: -1.675
local terms energy: -338.514952
where:
bonds (distance) C4'-P energy: -58.774
bonds (distance) P-C4' energy: -62.684
flat angles C4'-P-C4' energy: -74.802
flat angles P-C4'-P energy: -44.113
tors. eta vs tors. theta energy: -98.142
Dist. restrs. and SS energy: 3.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -1059.988111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.988111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.649688 (E_RNA)
where:
Base-Base interactions energy: -746.174
where: short stacking energy: -314.599
Base-Backbone interact. energy: -0.744
local terms energy: -316.731585
where:
bonds (distance) C4'-P energy: -63.488
bonds (distance) P-C4' energy: -52.614
flat angles C4'-P-C4' energy: -68.447
flat angles P-C4'-P energy: -49.195
tors. eta vs tors. theta energy: -82.988
Dist. restrs. and SS energy: 3.662 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -1020.065043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.065043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.470864 (E_RNA)
where:
Base-Base interactions energy: -727.416
where: short stacking energy: -273.110
Base-Backbone interact. energy: -2.039
local terms energy: -296.015533
where:
bonds (distance) C4'-P energy: -57.320
bonds (distance) P-C4' energy: -60.069
flat angles C4'-P-C4' energy: -66.408
flat angles P-C4'-P energy: -54.999
tors. eta vs tors. theta energy: -57.219
Dist. restrs. and SS energy: 5.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -994.144745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.144745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.711984 (E_RNA)
where:
Base-Base interactions energy: -690.395
where: short stacking energy: -283.256
Base-Backbone interact. energy: 1.472
local terms energy: -311.788839
where:
bonds (distance) C4'-P energy: -49.842
bonds (distance) P-C4' energy: -65.568
flat angles C4'-P-C4' energy: -70.633
flat angles P-C4'-P energy: -50.409
tors. eta vs tors. theta energy: -75.337
Dist. restrs. and SS energy: 6.567 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -946.483263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.483263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.883433 (E_RNA)
where:
Base-Base interactions energy: -655.171
where: short stacking energy: -260.820
Base-Backbone interact. energy: -1.352
local terms energy: -293.360007
where:
bonds (distance) C4'-P energy: -53.240
bonds (distance) P-C4' energy: -62.010
flat angles C4'-P-C4' energy: -59.353
flat angles P-C4'-P energy: -53.605
tors. eta vs tors. theta energy: -65.151
Dist. restrs. and SS energy: 3.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -943.959967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.959967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.139606 (E_RNA)
where:
Base-Base interactions energy: -668.257
where: short stacking energy: -264.204
Base-Backbone interact. energy: -3.021
local terms energy: -277.861716
where:
bonds (distance) C4'-P energy: -44.119
bonds (distance) P-C4' energy: -64.629
flat angles C4'-P-C4' energy: -66.119
flat angles P-C4'-P energy: -39.157
tors. eta vs tors. theta energy: -63.837
Dist. restrs. and SS energy: 5.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -868.634251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.634251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.780421 (E_RNA)
where:
Base-Base interactions energy: -622.933
where: short stacking energy: -263.132
Base-Backbone interact. energy: 0.429
local terms energy: -259.276964
where:
bonds (distance) C4'-P energy: -46.715
bonds (distance) P-C4' energy: -63.389
flat angles C4'-P-C4' energy: -66.765
flat angles P-C4'-P energy: -31.821
tors. eta vs tors. theta energy: -50.586
Dist. restrs. and SS energy: 13.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -770.424735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.424735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.266159 (E_RNA)
where:
Base-Base interactions energy: -559.635
where: short stacking energy: -206.275
Base-Backbone interact. energy: 1.618
local terms energy: -220.249027
where:
bonds (distance) C4'-P energy: -45.881
bonds (distance) P-C4' energy: -57.420
flat angles C4'-P-C4' energy: -54.968
flat angles P-C4'-P energy: -17.646
tors. eta vs tors. theta energy: -44.334
Dist. restrs. and SS energy: 7.841 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -1242.150779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.150779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.959745 (E_RNA)
where:
Base-Base interactions energy: -874.762
where: short stacking energy: -370.914
Base-Backbone interact. energy: -1.925
local terms energy: -370.273004
where:
bonds (distance) C4'-P energy: -60.714
bonds (distance) P-C4' energy: -68.861
flat angles C4'-P-C4' energy: -73.741
flat angles P-C4'-P energy: -52.524
tors. eta vs tors. theta energy: -114.434
Dist. restrs. and SS energy: 4.809 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -1170.819624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.819624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.014177 (E_RNA)
where:
Base-Base interactions energy: -838.393
where: short stacking energy: -339.689
Base-Backbone interact. energy: -0.794
local terms energy: -334.827816
where:
bonds (distance) C4'-P energy: -52.922
bonds (distance) P-C4' energy: -66.297
flat angles C4'-P-C4' energy: -63.342
flat angles P-C4'-P energy: -50.315
tors. eta vs tors. theta energy: -101.951
Dist. restrs. and SS energy: 3.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -1129.482893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.482893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.836906 (E_RNA)
where:
Base-Base interactions energy: -796.517
where: short stacking energy: -315.512
Base-Backbone interact. energy: -2.254
local terms energy: -334.065606
where:
bonds (distance) C4'-P energy: -64.080
bonds (distance) P-C4' energy: -67.424
flat angles C4'-P-C4' energy: -72.262
flat angles P-C4'-P energy: -53.218
tors. eta vs tors. theta energy: -77.081
Dist. restrs. and SS energy: 3.354 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -1060.703150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.703150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.113462 (E_RNA)
where:
Base-Base interactions energy: -730.280
where: short stacking energy: -302.534
Base-Backbone interact. energy: 1.259
local terms energy: -337.092554
where:
bonds (distance) C4'-P energy: -62.151
bonds (distance) P-C4' energy: -72.782
flat angles C4'-P-C4' energy: -73.615
flat angles P-C4'-P energy: -44.373
tors. eta vs tors. theta energy: -84.171
Dist. restrs. and SS energy: 5.410 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -1027.795581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.795581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.168012 (E_RNA)
where:
Base-Base interactions energy: -715.573
where: short stacking energy: -278.885
Base-Backbone interact. energy: -0.818
local terms energy: -314.776495
where:
bonds (distance) C4'-P energy: -54.777
bonds (distance) P-C4' energy: -69.567
flat angles C4'-P-C4' energy: -69.493
flat angles P-C4'-P energy: -50.784
tors. eta vs tors. theta energy: -70.155
Dist. restrs. and SS energy: 3.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -967.232397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.232397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.314076 (E_RNA)
where:
Base-Base interactions energy: -671.525
where: short stacking energy: -277.393
Base-Backbone interact. energy: -2.459
local terms energy: -299.329501
where:
bonds (distance) C4'-P energy: -56.578
bonds (distance) P-C4' energy: -70.463
flat angles C4'-P-C4' energy: -52.934
flat angles P-C4'-P energy: -44.127
tors. eta vs tors. theta energy: -75.227
Dist. restrs. and SS energy: 6.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -974.882812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.882812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.480646 (E_RNA)
where:
Base-Base interactions energy: -683.343
where: short stacking energy: -272.846
Base-Backbone interact. energy: 2.197
local terms energy: -302.334539
where:
bonds (distance) C4'-P energy: -60.767
bonds (distance) P-C4' energy: -61.662
flat angles C4'-P-C4' energy: -65.823
flat angles P-C4'-P energy: -44.012
tors. eta vs tors. theta energy: -70.071
Dist. restrs. and SS energy: 8.598 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -918.662144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.662144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.076114 (E_RNA)
where:
Base-Base interactions energy: -632.285
where: short stacking energy: -250.500
Base-Backbone interact. energy: 0.094
local terms energy: -291.884775
where:
bonds (distance) C4'-P energy: -57.117
bonds (distance) P-C4' energy: -63.274
flat angles C4'-P-C4' energy: -62.501
flat angles P-C4'-P energy: -44.695
tors. eta vs tors. theta energy: -64.297
Dist. restrs. and SS energy: 5.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -874.746883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.746883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.164585 (E_RNA)
where:
Base-Base interactions energy: -625.494
where: short stacking energy: -247.385
Base-Backbone interact. energy: -1.157
local terms energy: -256.514040
where:
bonds (distance) C4'-P energy: -44.642
bonds (distance) P-C4' energy: -49.285
flat angles C4'-P-C4' energy: -68.378
flat angles P-C4'-P energy: -35.593
tors. eta vs tors. theta energy: -58.616
Dist. restrs. and SS energy: 8.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -773.008738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.008738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.882194 (E_RNA)
where:
Base-Base interactions energy: -556.229
where: short stacking energy: -209.214
Base-Backbone interact. energy: -2.788
local terms energy: -226.864988
where:
bonds (distance) C4'-P energy: -40.218
bonds (distance) P-C4' energy: -58.408
flat angles C4'-P-C4' energy: -46.887
flat angles P-C4'-P energy: -29.326
tors. eta vs tors. theta energy: -52.025
Dist. restrs. and SS energy: 12.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -1225.335138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.335138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.775843 (E_RNA)
where:
Base-Base interactions energy: -872.006
where: short stacking energy: -344.823
Base-Backbone interact. energy: -1.871
local terms energy: -354.898740
where:
bonds (distance) C4'-P energy: -59.690
bonds (distance) P-C4' energy: -63.417
flat angles C4'-P-C4' energy: -69.815
flat angles P-C4'-P energy: -56.916
tors. eta vs tors. theta energy: -105.060
Dist. restrs. and SS energy: 3.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -1188.303820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.303820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.003908 (E_RNA)
where:
Base-Base interactions energy: -838.531
where: short stacking energy: -346.866
Base-Backbone interact. energy: -0.180
local terms energy: -352.293430
where:
bonds (distance) C4'-P energy: -59.587
bonds (distance) P-C4' energy: -72.330
flat angles C4'-P-C4' energy: -74.892
flat angles P-C4'-P energy: -51.066
tors. eta vs tors. theta energy: -94.419
Dist. restrs. and SS energy: 2.700 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -1116.778036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.778036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.190968 (E_RNA)
where:
Base-Base interactions energy: -781.291
where: short stacking energy: -310.671
Base-Backbone interact. energy: -1.971
local terms energy: -336.928885
where:
bonds (distance) C4'-P energy: -62.850
bonds (distance) P-C4' energy: -72.189
flat angles C4'-P-C4' energy: -67.203
flat angles P-C4'-P energy: -58.027
tors. eta vs tors. theta energy: -76.660
Dist. restrs. and SS energy: 3.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -1044.991533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.991533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.512087 (E_RNA)
where:
Base-Base interactions energy: -722.004
where: short stacking energy: -295.507
Base-Backbone interact. energy: 1.632
local terms energy: -329.140037
where:
bonds (distance) C4'-P energy: -70.630
bonds (distance) P-C4' energy: -61.829
flat angles C4'-P-C4' energy: -71.673
flat angles P-C4'-P energy: -42.393
tors. eta vs tors. theta energy: -82.615
Dist. restrs. and SS energy: 4.521 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -1067.869671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.869671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.442910 (E_RNA)
where:
Base-Base interactions energy: -766.683
where: short stacking energy: -307.183
Base-Backbone interact. energy: -1.919
local terms energy: -302.840649
where:
bonds (distance) C4'-P energy: -59.712
bonds (distance) P-C4' energy: -63.669
flat angles C4'-P-C4' energy: -55.421
flat angles P-C4'-P energy: -43.781
tors. eta vs tors. theta energy: -80.258
Dist. restrs. and SS energy: 3.573 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -955.780104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.780104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.163886 (E_RNA)
where:
Base-Base interactions energy: -661.244
where: short stacking energy: -263.567
Base-Backbone interact. energy: -0.049
local terms energy: -297.870435
where:
bonds (distance) C4'-P energy: -57.305
bonds (distance) P-C4' energy: -74.630
flat angles C4'-P-C4' energy: -61.906
flat angles P-C4'-P energy: -39.132
tors. eta vs tors. theta energy: -64.899
Dist. restrs. and SS energy: 3.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -967.063708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.063708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.677130 (E_RNA)
where:
Base-Base interactions energy: -674.956
where: short stacking energy: -279.133
Base-Backbone interact. energy: -0.530
local terms energy: -296.191417
where:
bonds (distance) C4'-P energy: -46.874
bonds (distance) P-C4' energy: -60.920
flat angles C4'-P-C4' energy: -68.498
flat angles P-C4'-P energy: -42.565
tors. eta vs tors. theta energy: -77.334
Dist. restrs. and SS energy: 4.613 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -950.361870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.361870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.666716 (E_RNA)
where:
Base-Base interactions energy: -661.332
where: short stacking energy: -265.817
Base-Backbone interact. energy: -1.150
local terms energy: -291.185026
where:
bonds (distance) C4'-P energy: -56.188
bonds (distance) P-C4' energy: -56.963
flat angles C4'-P-C4' energy: -64.230
flat angles P-C4'-P energy: -46.923
tors. eta vs tors. theta energy: -66.881
Dist. restrs. and SS energy: 3.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -805.515143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.515143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.743210 (E_RNA)
where:
Base-Base interactions energy: -592.370
where: short stacking energy: -225.162
Base-Backbone interact. energy: -0.601
local terms energy: -217.771945
where:
bonds (distance) C4'-P energy: -44.811
bonds (distance) P-C4' energy: -49.365
flat angles C4'-P-C4' energy: -41.309
flat angles P-C4'-P energy: -37.932
tors. eta vs tors. theta energy: -44.355
Dist. restrs. and SS energy: 5.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -847.496918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.496918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.203911 (E_RNA)
where:
Base-Base interactions energy: -591.141
where: short stacking energy: -229.168
Base-Backbone interact. energy: 1.814
local terms energy: -262.877033
where:
bonds (distance) C4'-P energy: -61.259
bonds (distance) P-C4' energy: -55.514
flat angles C4'-P-C4' energy: -61.872
flat angles P-C4'-P energy: -27.986
tors. eta vs tors. theta energy: -56.246
Dist. restrs. and SS energy: 4.707 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -1232.013395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.013395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.665830 (E_RNA)
where:
Base-Base interactions energy: -870.276
where: short stacking energy: -357.547
Base-Backbone interact. energy: -0.517
local terms energy: -365.872390
where:
bonds (distance) C4'-P energy: -68.475
bonds (distance) P-C4' energy: -70.512
flat angles C4'-P-C4' energy: -69.188
flat angles P-C4'-P energy: -54.660
tors. eta vs tors. theta energy: -103.037
Dist. restrs. and SS energy: 4.652 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -1204.703748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.703748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.921145 (E_RNA)
where:
Base-Base interactions energy: -846.130
where: short stacking energy: -343.774
Base-Backbone interact. energy: -1.474
local terms energy: -360.317012
where:
bonds (distance) C4'-P energy: -59.950
bonds (distance) P-C4' energy: -71.605
flat angles C4'-P-C4' energy: -65.978
flat angles P-C4'-P energy: -56.449
tors. eta vs tors. theta energy: -106.335
Dist. restrs. and SS energy: 3.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -1132.412209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.412209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.572279 (E_RNA)
where:
Base-Base interactions energy: -809.355
where: short stacking energy: -323.153
Base-Backbone interact. energy: -2.627
local terms energy: -323.590339
where:
bonds (distance) C4'-P energy: -58.385
bonds (distance) P-C4' energy: -60.134
flat angles C4'-P-C4' energy: -73.260
flat angles P-C4'-P energy: -48.771
tors. eta vs tors. theta energy: -83.041
Dist. restrs. and SS energy: 3.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -1067.664401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.664401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.506555 (E_RNA)
where:
Base-Base interactions energy: -720.179
where: short stacking energy: -296.836
Base-Backbone interact. energy: -0.077
local terms energy: -351.250512
where:
bonds (distance) C4'-P energy: -65.659
bonds (distance) P-C4' energy: -71.611
flat angles C4'-P-C4' energy: -70.119
flat angles P-C4'-P energy: -54.304
tors. eta vs tors. theta energy: -89.557
Dist. restrs. and SS energy: 3.842 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -1075.357420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.357420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.697270 (E_RNA)
where:
Base-Base interactions energy: -772.920
where: short stacking energy: -313.120
Base-Backbone interact. energy: -0.611
local terms energy: -306.166709
where:
bonds (distance) C4'-P energy: -53.529
bonds (distance) P-C4' energy: -59.746
flat angles C4'-P-C4' energy: -67.083
flat angles P-C4'-P energy: -40.503
tors. eta vs tors. theta energy: -85.305
Dist. restrs. and SS energy: 4.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -1020.677749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.677749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.338136 (E_RNA)
where:
Base-Base interactions energy: -704.460
where: short stacking energy: -295.215
Base-Backbone interact. energy: -1.103
local terms energy: -319.775473
where:
bonds (distance) C4'-P energy: -58.947
bonds (distance) P-C4' energy: -54.840
flat angles C4'-P-C4' energy: -67.905
flat angles P-C4'-P energy: -44.510
tors. eta vs tors. theta energy: -93.573
Dist. restrs. and SS energy: 4.660 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -940.260347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.260347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.325662 (E_RNA)
where:
Base-Base interactions energy: -663.572
where: short stacking energy: -273.647
Base-Backbone interact. energy: -0.628
local terms energy: -283.125128
where:
bonds (distance) C4'-P energy: -59.530
bonds (distance) P-C4' energy: -63.372
flat angles C4'-P-C4' energy: -60.315
flat angles P-C4'-P energy: -36.673
tors. eta vs tors. theta energy: -63.235
Dist. restrs. and SS energy: 7.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -919.268227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.268227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.589446 (E_RNA)
where:
Base-Base interactions energy: -639.068
where: short stacking energy: -245.742
Base-Backbone interact. energy: -0.590
local terms energy: -282.931692
where:
bonds (distance) C4'-P energy: -48.607
bonds (distance) P-C4' energy: -49.596
flat angles C4'-P-C4' energy: -70.454
flat angles P-C4'-P energy: -42.112
tors. eta vs tors. theta energy: -72.163
Dist. restrs. and SS energy: 3.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -817.557470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.557470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.670101 (E_RNA)
where:
Base-Base interactions energy: -572.821
where: short stacking energy: -213.926
Base-Backbone interact. energy: -3.321
local terms energy: -251.528083
where:
bonds (distance) C4'-P energy: -48.880
bonds (distance) P-C4' energy: -64.228
flat angles C4'-P-C4' energy: -44.163
flat angles P-C4'-P energy: -40.821
tors. eta vs tors. theta energy: -53.436
Dist. restrs. and SS energy: 10.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -839.175043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.175043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.869589 (E_RNA)
where:
Base-Base interactions energy: -593.627
where: short stacking energy: -228.706
Base-Backbone interact. energy: -1.410
local terms energy: -250.832962
where:
bonds (distance) C4'-P energy: -57.575
bonds (distance) P-C4' energy: -45.292
flat angles C4'-P-C4' energy: -54.707
flat angles P-C4'-P energy: -49.154
tors. eta vs tors. theta energy: -44.104
Dist. restrs. and SS energy: 6.695 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -1230.926792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.926792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.116672 (E_RNA)
where:
Base-Base interactions energy: -865.814
where: short stacking energy: -367.915
Base-Backbone interact. energy: 1.282
local terms energy: -370.584316
where:
bonds (distance) C4'-P energy: -66.605
bonds (distance) P-C4' energy: -68.570
flat angles C4'-P-C4' energy: -75.623
flat angles P-C4'-P energy: -56.304
tors. eta vs tors. theta energy: -103.483
Dist. restrs. and SS energy: 4.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -1187.128886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.128886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.852402 (E_RNA)
where:
Base-Base interactions energy: -829.013
where: short stacking energy: -353.889
Base-Backbone interact. energy: -0.738
local terms energy: -360.101352
where:
bonds (distance) C4'-P energy: -61.961
bonds (distance) P-C4' energy: -67.914
flat angles C4'-P-C4' energy: -73.732
flat angles P-C4'-P energy: -58.411
tors. eta vs tors. theta energy: -98.082
Dist. restrs. and SS energy: 2.724 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -1129.688768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.688768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.069218 (E_RNA)
where:
Base-Base interactions energy: -806.776
where: short stacking energy: -305.911
Base-Backbone interact. energy: -1.878
local terms energy: -324.415336
where:
bonds (distance) C4'-P energy: -58.195
bonds (distance) P-C4' energy: -65.590
flat angles C4'-P-C4' energy: -72.134
flat angles P-C4'-P energy: -48.913
tors. eta vs tors. theta energy: -79.584
Dist. restrs. and SS energy: 3.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -1049.241856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.241856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.003723 (E_RNA)
where:
Base-Base interactions energy: -716.895
where: short stacking energy: -306.793
Base-Backbone interact. energy: -1.166
local terms energy: -335.942635
where:
bonds (distance) C4'-P energy: -60.006
bonds (distance) P-C4' energy: -72.728
flat angles C4'-P-C4' energy: -76.825
flat angles P-C4'-P energy: -46.232
tors. eta vs tors. theta energy: -80.152
Dist. restrs. and SS energy: 4.762 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -1032.385616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.385616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.392483 (E_RNA)
where:
Base-Base interactions energy: -708.886
where: short stacking energy: -281.429
Base-Backbone interact. energy: -1.987
local terms energy: -328.520333
where:
bonds (distance) C4'-P energy: -60.407
bonds (distance) P-C4' energy: -68.845
flat angles C4'-P-C4' energy: -73.405
flat angles P-C4'-P energy: -44.208
tors. eta vs tors. theta energy: -81.655
Dist. restrs. and SS energy: 7.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -995.101562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.101562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.037319 (E_RNA)
where:
Base-Base interactions energy: -692.740
where: short stacking energy: -278.715
Base-Backbone interact. energy: -0.800
local terms energy: -306.497580
where:
bonds (distance) C4'-P energy: -58.421
bonds (distance) P-C4' energy: -65.746
flat angles C4'-P-C4' energy: -69.723
flat angles P-C4'-P energy: -47.188
tors. eta vs tors. theta energy: -65.419
Dist. restrs. and SS energy: 4.936 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -947.355295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.355295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.201888 (E_RNA)
where:
Base-Base interactions energy: -686.500
where: short stacking energy: -278.169
Base-Backbone interact. energy: -0.121
local terms energy: -265.580537
where:
bonds (distance) C4'-P energy: -38.428
bonds (distance) P-C4' energy: -51.588
flat angles C4'-P-C4' energy: -61.803
flat angles P-C4'-P energy: -47.056
tors. eta vs tors. theta energy: -66.705
Dist. restrs. and SS energy: 4.847 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -897.623870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.623870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.008972 (E_RNA)
where:
Base-Base interactions energy: -638.868
where: short stacking energy: -271.293
Base-Backbone interact. energy: -1.003
local terms energy: -267.137910
where:
bonds (distance) C4'-P energy: -48.466
bonds (distance) P-C4' energy: -52.310
flat angles C4'-P-C4' energy: -58.361
flat angles P-C4'-P energy: -40.083
tors. eta vs tors. theta energy: -67.919
Dist. restrs. and SS energy: 9.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -887.165541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.165541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.937375 (E_RNA)
where:
Base-Base interactions energy: -628.652
where: short stacking energy: -260.874
Base-Backbone interact. energy: -1.288
local terms energy: -263.997920
where:
bonds (distance) C4'-P energy: -45.843
bonds (distance) P-C4' energy: -56.586
flat angles C4'-P-C4' energy: -58.574
flat angles P-C4'-P energy: -40.150
tors. eta vs tors. theta energy: -62.845
Dist. restrs. and SS energy: 6.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -792.915368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.915368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.731590 (E_RNA)
where:
Base-Base interactions energy: -557.392
where: short stacking energy: -212.427
Base-Backbone interact. energy: -1.476
local terms energy: -244.863167
where:
bonds (distance) C4'-P energy: -56.951
bonds (distance) P-C4' energy: -52.192
flat angles C4'-P-C4' energy: -58.994
flat angles P-C4'-P energy: -26.776
tors. eta vs tors. theta energy: -49.950
Dist. restrs. and SS energy: 10.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -1235.831896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.831896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.553258 (E_RNA)
where:
Base-Base interactions energy: -857.942
where: short stacking energy: -347.940
Base-Backbone interact. energy: -1.754
local terms energy: -380.856512
where:
bonds (distance) C4'-P energy: -76.451
bonds (distance) P-C4' energy: -75.435
flat angles C4'-P-C4' energy: -78.442
flat angles P-C4'-P energy: -56.073
tors. eta vs tors. theta energy: -94.456
Dist. restrs. and SS energy: 4.721 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -1191.475186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.475186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.366767 (E_RNA)
where:
Base-Base interactions energy: -820.491
where: short stacking energy: -346.360
Base-Backbone interact. energy: -1.581
local terms energy: -373.295274
where:
bonds (distance) C4'-P energy: -67.768
bonds (distance) P-C4' energy: -69.608
flat angles C4'-P-C4' energy: -82.111
flat angles P-C4'-P energy: -53.417
tors. eta vs tors. theta energy: -100.392
Dist. restrs. and SS energy: 3.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -1156.629704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.629704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.992135 (E_RNA)
where:
Base-Base interactions energy: -834.806
where: short stacking energy: -309.823
Base-Backbone interact. energy: 1.227
local terms energy: -326.413385
where:
bonds (distance) C4'-P energy: -63.335
bonds (distance) P-C4' energy: -69.764
flat angles C4'-P-C4' energy: -74.425
flat angles P-C4'-P energy: -35.636
tors. eta vs tors. theta energy: -83.254
Dist. restrs. and SS energy: 3.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -1070.573127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.573127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.583946 (E_RNA)
where:
Base-Base interactions energy: -746.570
where: short stacking energy: -301.103
Base-Backbone interact. energy: 2.443
local terms energy: -333.456619
where:
bonds (distance) C4'-P energy: -60.043
bonds (distance) P-C4' energy: -62.756
flat angles C4'-P-C4' energy: -77.891
flat angles P-C4'-P energy: -44.631
tors. eta vs tors. theta energy: -88.135
Dist. restrs. and SS energy: 7.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -1026.577008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.577008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.124498 (E_RNA)
where:
Base-Base interactions energy: -717.410
where: short stacking energy: -292.234
Base-Backbone interact. energy: -0.488
local terms energy: -312.226003
where:
bonds (distance) C4'-P energy: -58.679
bonds (distance) P-C4' energy: -61.146
flat angles C4'-P-C4' energy: -65.563
flat angles P-C4'-P energy: -47.314
tors. eta vs tors. theta energy: -79.524
Dist. restrs. and SS energy: 3.547 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -1051.326713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.326713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.511005 (E_RNA)
where:
Base-Base interactions energy: -740.261
where: short stacking energy: -297.226
Base-Backbone interact. energy: -0.739
local terms energy: -313.511000
where:
bonds (distance) C4'-P energy: -59.422
bonds (distance) P-C4' energy: -60.000
flat angles C4'-P-C4' energy: -71.722
flat angles P-C4'-P energy: -41.649
tors. eta vs tors. theta energy: -80.718
Dist. restrs. and SS energy: 3.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -971.154353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.154353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.064579 (E_RNA)
where:
Base-Base interactions energy: -676.326
where: short stacking energy: -265.358
Base-Backbone interact. energy: -2.184
local terms energy: -296.554041
where:
bonds (distance) C4'-P energy: -57.568
bonds (distance) P-C4' energy: -55.505
flat angles C4'-P-C4' energy: -64.276
flat angles P-C4'-P energy: -44.997
tors. eta vs tors. theta energy: -74.207
Dist. restrs. and SS energy: 3.910 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -897.370270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.370270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.924229 (E_RNA)
where:
Base-Base interactions energy: -606.043
where: short stacking energy: -231.857
Base-Backbone interact. energy: -1.437
local terms energy: -296.443586
where:
bonds (distance) C4'-P energy: -62.648
bonds (distance) P-C4' energy: -69.325
flat angles C4'-P-C4' energy: -58.459
flat angles P-C4'-P energy: -42.684
tors. eta vs tors. theta energy: -63.328
Dist. restrs. and SS energy: 6.554 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -858.861329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.861329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.043348 (E_RNA)
where:
Base-Base interactions energy: -627.832
where: short stacking energy: -244.626
Base-Backbone interact. energy: 1.263
local terms energy: -242.474615
where:
bonds (distance) C4'-P energy: -46.937
bonds (distance) P-C4' energy: -41.300
flat angles C4'-P-C4' energy: -58.495
flat angles P-C4'-P energy: -36.688
tors. eta vs tors. theta energy: -59.055
Dist. restrs. and SS energy: 10.182 (S_DIST_RNA)
chem. 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: -826.647741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.647741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.346807 (E_RNA)
where:
Base-Base interactions energy: -562.839
where: short stacking energy: -210.202
Base-Backbone interact. energy: 0.792
local terms energy: -270.299706
where:
bonds (distance) C4'-P energy: -53.618
bonds (distance) P-C4' energy: -59.233
flat angles C4'-P-C4' energy: -62.307
flat angles P-C4'-P energy: -46.351
tors. eta vs tors. theta energy: -48.791
Dist. restrs. and SS energy: 5.699 (S_DIST_RNA)
chem. 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: -1229.417638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.417638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.268062 (E_RNA)
where:
Base-Base interactions energy: -871.669
where: short stacking energy: -368.522
Base-Backbone interact. energy: -2.064
local terms energy: -359.535043
where:
bonds (distance) C4'-P energy: -77.111
bonds (distance) P-C4' energy: -70.925
flat angles C4'-P-C4' energy: -60.716
flat angles P-C4'-P energy: -47.810
tors. eta vs tors. theta energy: -102.973
Dist. restrs. and SS energy: 3.850 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -1194.488060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.488060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.388213 (E_RNA)
where:
Base-Base interactions energy: -828.607
where: short stacking energy: -332.864
Base-Backbone interact. energy: -4.250
local terms energy: -364.530849
where:
bonds (distance) C4'-P energy: -68.383
bonds (distance) P-C4' energy: -67.966
flat angles C4'-P-C4' energy: -79.023
flat angles P-C4'-P energy: -51.213
tors. eta vs tors. theta energy: -97.946
Dist. restrs. and SS energy: 2.900 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -1066.620508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.620508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.231651 (E_RNA)
where:
Base-Base interactions energy: -748.589
where: short stacking energy: -314.983
Base-Backbone interact. energy: 1.286
local terms energy: -328.927853
where:
bonds (distance) C4'-P energy: -64.195
bonds (distance) P-C4' energy: -64.108
flat angles C4'-P-C4' energy: -71.327
flat angles P-C4'-P energy: -41.828
tors. eta vs tors. theta energy: -87.470
Dist. restrs. and SS energy: 9.611 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -1107.462956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.462956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.146102 (E_RNA)
where:
Base-Base interactions energy: -778.388
where: short stacking energy: -288.079
Base-Backbone interact. energy: -0.124
local terms energy: -331.634065
where:
bonds (distance) C4'-P energy: -71.851
bonds (distance) P-C4' energy: -64.670
flat angles C4'-P-C4' energy: -74.457
flat angles P-C4'-P energy: -53.492
tors. eta vs tors. theta energy: -67.165
Dist. restrs. and SS energy: 2.683 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -1089.134134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.134134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.338634 (E_RNA)
where:
Base-Base interactions energy: -755.300
where: short stacking energy: -313.318
Base-Backbone interact. energy: -0.989
local terms energy: -337.050080
where:
bonds (distance) C4'-P energy: -70.145
bonds (distance) P-C4' energy: -66.395
flat angles C4'-P-C4' energy: -68.608
flat angles P-C4'-P energy: -42.627
tors. eta vs tors. theta energy: -89.275
Dist. restrs. and SS energy: 4.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -999.458460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.458460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.392349 (E_RNA)
where:
Base-Base interactions energy: -710.793
where: short stacking energy: -269.400
Base-Backbone interact. energy: 0.860
local terms energy: -294.459877
where:
bonds (distance) C4'-P energy: -50.324
bonds (distance) P-C4' energy: -56.952
flat angles C4'-P-C4' energy: -73.679
flat angles P-C4'-P energy: -39.577
tors. eta vs tors. theta energy: -73.927
Dist. restrs. and SS energy: 4.934 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -974.514105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.514105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.502867 (E_RNA)
where:
Base-Base interactions energy: -676.152
where: short stacking energy: -275.723
Base-Backbone interact. energy: -1.016
local terms energy: -302.334366
where:
bonds (distance) C4'-P energy: -46.102
bonds (distance) P-C4' energy: -63.616
flat angles C4'-P-C4' energy: -64.148
flat angles P-C4'-P energy: -49.893
tors. eta vs tors. theta energy: -78.575
Dist. restrs. and SS energy: 4.989 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -915.338736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.338736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.970147 (E_RNA)
where:
Base-Base interactions energy: -654.603
where: short stacking energy: -262.635
Base-Backbone interact. energy: -0.754
local terms energy: -265.613132
where:
bonds (distance) C4'-P energy: -49.203
bonds (distance) P-C4' energy: -51.052
flat angles C4'-P-C4' energy: -56.131
flat angles P-C4'-P energy: -43.271
tors. eta vs tors. theta energy: -65.956
Dist. restrs. and SS energy: 5.631 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -901.933052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.933052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.710822 (E_RNA)
where:
Base-Base interactions energy: -641.024
where: short stacking energy: -263.686
Base-Backbone interact. energy: -1.311
local terms energy: -268.376369
where:
bonds (distance) C4'-P energy: -37.698
bonds (distance) P-C4' energy: -59.539
flat angles C4'-P-C4' energy: -74.890
flat angles P-C4'-P energy: -29.786
tors. eta vs tors. theta energy: -66.463
Dist. restrs. and SS energy: 8.778 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -820.634113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.634113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.207252 (E_RNA)
where:
Base-Base interactions energy: -575.874
where: short stacking energy: -212.760
Base-Backbone interact. energy: 1.235
local terms energy: -251.568438
where:
bonds (distance) C4'-P energy: -61.100
bonds (distance) P-C4' energy: -56.793
flat angles C4'-P-C4' energy: -61.198
flat angles P-C4'-P energy: -16.311
tors. eta vs tors. theta energy: -56.166
Dist. restrs. and SS energy: 5.573 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -1228.102096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.102096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.291672 (E_RNA)
where:
Base-Base interactions energy: -869.190
where: short stacking energy: -328.629
Base-Backbone interact. energy: -0.325
local terms energy: -361.776168
where:
bonds (distance) C4'-P energy: -65.327
bonds (distance) P-C4' energy: -72.220
flat angles C4'-P-C4' energy: -74.109
flat angles P-C4'-P energy: -53.121
tors. eta vs tors. theta energy: -96.999
Dist. restrs. and SS energy: 3.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -1198.762724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.762724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.578125 (E_RNA)
where:
Base-Base interactions energy: -831.997
where: short stacking energy: -340.628
Base-Backbone interact. energy: -3.035
local terms energy: -366.545884
where:
bonds (distance) C4'-P energy: -73.504
bonds (distance) P-C4' energy: -68.255
flat angles C4'-P-C4' energy: -66.098
flat angles P-C4'-P energy: -53.719
tors. eta vs tors. theta energy: -104.970
Dist. restrs. and SS energy: 2.815 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -1096.736618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.736618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.278168 (E_RNA)
where:
Base-Base interactions energy: -788.053
where: short stacking energy: -311.782
Base-Backbone interact. energy: 3.792
local terms energy: -317.016859
where:
bonds (distance) C4'-P energy: -61.267
bonds (distance) P-C4' energy: -54.222
flat angles C4'-P-C4' energy: -73.333
flat angles P-C4'-P energy: -40.124
tors. eta vs tors. theta energy: -88.070
Dist. restrs. and SS energy: 4.542 (S_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: 285
Temperature: 1.050000
Total energy: -1117.398909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.398909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.686836 (E_RNA)
where:
Base-Base interactions energy: -801.686
where: short stacking energy: -310.786
Base-Backbone interact. energy: -0.434
local terms energy: -318.566257
where:
bonds (distance) C4'-P energy: -56.687
bonds (distance) P-C4' energy: -61.430
flat angles C4'-P-C4' energy: -73.885
flat angles P-C4'-P energy: -42.431
tors. eta vs tors. theta energy: -84.133
Dist. restrs. and SS energy: 3.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -1048.681833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.681833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.300042 (E_RNA)
where:
Base-Base interactions energy: -729.391
where: short stacking energy: -305.307
Base-Backbone interact. energy: -2.340
local terms energy: -323.568862
where:
bonds (distance) C4'-P energy: -60.578
bonds (distance) P-C4' energy: -55.630
flat angles C4'-P-C4' energy: -79.516
flat angles P-C4'-P energy: -45.083
tors. eta vs tors. theta energy: -82.762
Dist. restrs. and SS energy: 6.618 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -1027.178078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.178078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.448825 (E_RNA)
where:
Base-Base interactions energy: -718.010
where: short stacking energy: -291.784
Base-Backbone interact. energy: -1.981
local terms energy: -313.457567
where:
bonds (distance) C4'-P energy: -57.490
bonds (distance) P-C4' energy: -60.362
flat angles C4'-P-C4' energy: -70.980
flat angles P-C4'-P energy: -44.672
tors. eta vs tors. theta energy: -79.953
Dist. restrs. and SS energy: 6.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -971.306242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.306242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.679614 (E_RNA)
where:
Base-Base interactions energy: -688.913
where: short stacking energy: -276.455
Base-Backbone interact. energy: -0.188
local terms energy: -288.578103
where:
bonds (distance) C4'-P energy: -53.074
bonds (distance) P-C4' energy: -49.948
flat angles C4'-P-C4' energy: -63.998
flat angles P-C4'-P energy: -43.542
tors. eta vs tors. theta energy: -78.016
Dist. restrs. and SS energy: 6.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -941.994847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.994847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.680658 (E_RNA)
where:
Base-Base interactions energy: -663.003
where: short stacking energy: -258.804
Base-Backbone interact. energy: 0.814
local terms energy: -289.491644
where:
bonds (distance) C4'-P energy: -55.980
bonds (distance) P-C4' energy: -58.821
flat angles C4'-P-C4' energy: -69.406
flat angles P-C4'-P energy: -41.454
tors. eta vs tors. theta energy: -63.830
Dist. restrs. and SS energy: 9.686 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -910.223450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.223450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.689890 (E_RNA)
where:
Base-Base interactions energy: -650.437
where: short stacking energy: -274.273
Base-Backbone interact. energy: -1.490
local terms energy: -274.762911
where:
bonds (distance) C4'-P energy: -54.545
bonds (distance) P-C4' energy: -52.508
flat angles C4'-P-C4' energy: -68.410
flat angles P-C4'-P energy: -28.419
tors. eta vs tors. theta energy: -70.881
Dist. restrs. and SS energy: 16.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -846.147383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.147383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.305609 (E_RNA)
where:
Base-Base interactions energy: -591.022
where: short stacking energy: -230.953
Base-Backbone interact. energy: 0.807
local terms energy: -263.091108
where:
bonds (distance) C4'-P energy: -61.419
bonds (distance) P-C4' energy: -53.020
flat angles C4'-P-C4' energy: -56.856
flat angles P-C4'-P energy: -39.996
tors. eta vs tors. theta energy: -51.800
Dist. restrs. and SS energy: 7.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -1198.963851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.963851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.726704 (E_RNA)
where:
Base-Base interactions energy: -828.637
where: short stacking energy: -335.044
Base-Backbone interact. energy: 1.986
local terms energy: -375.076358
where:
bonds (distance) C4'-P energy: -74.895
bonds (distance) P-C4' energy: -70.684
flat angles C4'-P-C4' energy: -80.055
flat angles P-C4'-P energy: -55.003
tors. eta vs tors. theta energy: -94.440
Dist. restrs. and SS energy: 2.763 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -1180.006112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.006112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.360618 (E_RNA)
where:
Base-Base interactions energy: -824.342
where: short stacking energy: -345.500
Base-Backbone interact. energy: 0.945
local terms energy: -359.963153
where:
bonds (distance) C4'-P energy: -65.527
bonds (distance) P-C4' energy: -71.755
flat angles C4'-P-C4' energy: -75.783
flat angles P-C4'-P energy: -52.157
tors. eta vs tors. theta energy: -94.741
Dist. restrs. and SS energy: 3.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -1108.603379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.603379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.927810 (E_RNA)
where:
Base-Base interactions energy: -796.046
where: short stacking energy: -323.158
Base-Backbone interact. energy: -1.524
local terms energy: -317.357917
where:
bonds (distance) C4'-P energy: -53.825
bonds (distance) P-C4' energy: -58.788
flat angles C4'-P-C4' energy: -71.135
flat angles P-C4'-P energy: -46.500
tors. eta vs tors. theta energy: -87.109
Dist. restrs. and SS energy: 6.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -1117.383738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.383738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.379502 (E_RNA)
where:
Base-Base interactions energy: -785.561
where: short stacking energy: -312.852
Base-Backbone interact. energy: 0.470
local terms energy: -335.288784
where:
bonds (distance) C4'-P energy: -64.783
bonds (distance) P-C4' energy: -69.004
flat angles C4'-P-C4' energy: -72.932
flat angles P-C4'-P energy: -47.636
tors. eta vs tors. theta energy: -80.934
Dist. restrs. and SS energy: 2.996 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -1069.412029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.412029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.460702 (E_RNA)
where:
Base-Base interactions energy: -743.307
where: short stacking energy: -318.045
Base-Backbone interact. energy: -1.993
local terms energy: -328.160791
where:
bonds (distance) C4'-P energy: -59.529
bonds (distance) P-C4' energy: -62.204
flat angles C4'-P-C4' energy: -65.093
flat angles P-C4'-P energy: -51.531
tors. eta vs tors. theta energy: -89.804
Dist. restrs. and SS energy: 4.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -969.322006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.322006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.935905 (E_RNA)
where:
Base-Base interactions energy: -673.581
where: short stacking energy: -278.004
Base-Backbone interact. energy: 0.246
local terms energy: -299.600940
where:
bonds (distance) C4'-P energy: -63.732
bonds (distance) P-C4' energy: -68.683
flat angles C4'-P-C4' energy: -49.772
flat angles P-C4'-P energy: -47.346
tors. eta vs tors. theta energy: -70.068
Dist. restrs. and SS energy: 3.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -983.006414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.006414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.313694 (E_RNA)
where:
Base-Base interactions energy: -689.104
where: short stacking energy: -280.350
Base-Backbone interact. energy: -1.578
local terms energy: -296.632659
where:
bonds (distance) C4'-P energy: -59.541
bonds (distance) P-C4' energy: -45.121
flat angles C4'-P-C4' energy: -66.357
flat angles P-C4'-P energy: -44.767
tors. eta vs tors. theta energy: -80.847
Dist. restrs. and SS energy: 4.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -900.771711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.771711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.064782 (E_RNA)
where:
Base-Base interactions energy: -622.435
where: short stacking energy: -253.145
Base-Backbone interact. energy: -0.975
local terms energy: -283.655105
where:
bonds (distance) C4'-P energy: -49.614
bonds (distance) P-C4' energy: -51.869
flat angles C4'-P-C4' energy: -73.046
flat angles P-C4'-P energy: -39.649
tors. eta vs tors. theta energy: -69.478
Dist. restrs. and SS energy: 6.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -878.073635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.073635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.370473 (E_RNA)
where:
Base-Base interactions energy: -638.452
where: short stacking energy: -248.708
Base-Backbone interact. energy: 3.249
local terms energy: -254.168035
where:
bonds (distance) C4'-P energy: -49.063
bonds (distance) P-C4' energy: -52.800
flat angles C4'-P-C4' energy: -52.841
flat angles P-C4'-P energy: -42.023
tors. eta vs tors. theta energy: -57.440
Dist. restrs. and SS energy: 11.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -854.144252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.144252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.488258 (E_RNA)
where:
Base-Base interactions energy: -612.834
where: short stacking energy: -248.696
Base-Backbone interact. energy: 0.612
local terms energy: -252.265803
where:
bonds (distance) C4'-P energy: -50.395
bonds (distance) P-C4' energy: -58.223
flat angles C4'-P-C4' energy: -44.512
flat angles P-C4'-P energy: -35.960
tors. eta vs tors. theta energy: -63.176
Dist. restrs. and SS energy: 10.344 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -1224.511573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.511573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.767886 (E_RNA)
where:
Base-Base interactions energy: -849.889
where: short stacking energy: -348.757
Base-Backbone interact. energy: -1.850
local terms energy: -376.029062
where:
bonds (distance) C4'-P energy: -74.691
bonds (distance) P-C4' energy: -68.007
flat angles C4'-P-C4' energy: -74.303
flat angles P-C4'-P energy: -56.094
tors. eta vs tors. theta energy: -102.934
Dist. restrs. and SS energy: 3.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -1181.339629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.339629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.716785 (E_RNA)
where:
Base-Base interactions energy: -823.469
where: short stacking energy: -328.159
Base-Backbone interact. energy: 0.531
local terms energy: -361.778466
where:
bonds (distance) C4'-P energy: -73.906
bonds (distance) P-C4' energy: -67.488
flat angles C4'-P-C4' energy: -72.463
flat angles P-C4'-P energy: -54.368
tors. eta vs tors. theta energy: -93.553
Dist. restrs. and SS energy: 3.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -1113.028742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.028742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.646980 (E_RNA)
where:
Base-Base interactions energy: -773.250
where: short stacking energy: -314.884
Base-Backbone interact. energy: -1.914
local terms energy: -341.483782
where:
bonds (distance) C4'-P energy: -66.691
bonds (distance) P-C4' energy: -60.335
flat angles C4'-P-C4' energy: -74.521
flat angles P-C4'-P energy: -53.815
tors. eta vs tors. theta energy: -86.122
Dist. restrs. and SS energy: 3.618 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -1097.720782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.720782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.022385 (E_RNA)
where:
Base-Base interactions energy: -761.314
where: short stacking energy: -293.352
Base-Backbone interact. energy: -1.637
local terms energy: -338.071869
where:
bonds (distance) C4'-P energy: -55.307
bonds (distance) P-C4' energy: -75.646
flat angles C4'-P-C4' energy: -74.793
flat angles P-C4'-P energy: -52.647
tors. eta vs tors. theta energy: -79.679
Dist. restrs. and SS energy: 3.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -1056.136391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.136391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.005818 (E_RNA)
where:
Base-Base interactions energy: -730.590
where: short stacking energy: -278.906
Base-Backbone interact. energy: -1.553
local terms energy: -326.862486
where:
bonds (distance) C4'-P energy: -59.428
bonds (distance) P-C4' energy: -65.082
flat angles C4'-P-C4' energy: -70.674
flat angles P-C4'-P energy: -47.441
tors. eta vs tors. theta energy: -84.237
Dist. restrs. and SS energy: 2.869 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -992.270893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.270893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.759364 (E_RNA)
where:
Base-Base interactions energy: -686.173
where: short stacking energy: -255.984
Base-Backbone interact. energy: -0.124
local terms energy: -310.462162
where:
bonds (distance) C4'-P energy: -63.693
bonds (distance) P-C4' energy: -57.207
flat angles C4'-P-C4' energy: -67.322
flat angles P-C4'-P energy: -50.615
tors. eta vs tors. theta energy: -71.625
Dist. restrs. and SS energy: 4.488 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -953.651380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.651380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.306947 (E_RNA)
where:
Base-Base interactions energy: -656.778
where: short stacking energy: -258.557
Base-Backbone interact. energy: -1.260
local terms energy: -301.268841
where:
bonds (distance) C4'-P energy: -53.040
bonds (distance) P-C4' energy: -72.205
flat angles C4'-P-C4' energy: -63.996
flat angles P-C4'-P energy: -37.148
tors. eta vs tors. theta energy: -74.879
Dist. restrs. and SS energy: 5.656 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -926.534182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.534182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.139922 (E_RNA)
where:
Base-Base interactions energy: -662.186
where: short stacking energy: -261.678
Base-Backbone interact. energy: 5.511
local terms energy: -277.465031
where:
bonds (distance) C4'-P energy: -45.097
bonds (distance) P-C4' energy: -48.983
flat angles C4'-P-C4' energy: -72.577
flat angles P-C4'-P energy: -43.547
tors. eta vs tors. theta energy: -67.261
Dist. restrs. and SS energy: 7.606 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -855.999421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.999421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.716309 (E_RNA)
where:
Base-Base interactions energy: -621.839
where: short stacking energy: -237.750
Base-Backbone interact. energy: 1.398
local terms energy: -240.275643
where:
bonds (distance) C4'-P energy: -42.056
bonds (distance) P-C4' energy: -51.106
flat angles C4'-P-C4' energy: -51.345
flat angles P-C4'-P energy: -45.011
tors. eta vs tors. theta energy: -50.758
Dist. restrs. and SS energy: 4.717 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -844.098198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.098198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.525847 (E_RNA)
where:
Base-Base interactions energy: -579.675
where: short stacking energy: -220.894
Base-Backbone interact. energy: 1.299
local terms energy: -271.150340
where:
bonds (distance) C4'-P energy: -53.543
bonds (distance) P-C4' energy: -63.242
flat angles C4'-P-C4' energy: -64.515
flat angles P-C4'-P energy: -42.957
tors. eta vs tors. theta energy: -46.894
Dist. restrs. and SS energy: 5.428 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -1224.664119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.664119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.043179 (E_RNA)
where:
Base-Base interactions energy: -848.341
where: short stacking energy: -344.943
Base-Backbone interact. energy: -3.257
local terms energy: -376.445753
where:
bonds (distance) C4'-P energy: -76.919
bonds (distance) P-C4' energy: -74.671
flat angles C4'-P-C4' energy: -73.441
flat angles P-C4'-P energy: -51.108
tors. eta vs tors. theta energy: -100.307
Dist. restrs. and SS energy: 3.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -1208.441588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.441588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.097164 (E_RNA)
where:
Base-Base interactions energy: -867.105
where: short stacking energy: -346.333
Base-Backbone interact. energy: -0.173
local terms energy: -344.819541
where:
bonds (distance) C4'-P energy: -63.992
bonds (distance) P-C4' energy: -63.015
flat angles C4'-P-C4' energy: -69.366
flat angles P-C4'-P energy: -53.215
tors. eta vs tors. theta energy: -95.231
Dist. restrs. and SS energy: 3.656 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -1127.144310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.144310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.439383 (E_RNA)
where:
Base-Base interactions energy: -795.985
where: short stacking energy: -325.674
Base-Backbone interact. energy: -0.645
local terms energy: -334.810000
where:
bonds (distance) C4'-P energy: -61.030
bonds (distance) P-C4' energy: -68.138
flat angles C4'-P-C4' energy: -74.499
flat angles P-C4'-P energy: -44.474
tors. eta vs tors. theta energy: -86.668
Dist. restrs. and SS energy: 4.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -1104.287496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.287496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.932729 (E_RNA)
where:
Base-Base interactions energy: -781.710
where: short stacking energy: -299.494
Base-Backbone interact. energy: -2.856
local terms energy: -322.366529
where:
bonds (distance) C4'-P energy: -53.118
bonds (distance) P-C4' energy: -64.109
flat angles C4'-P-C4' energy: -71.057
flat angles P-C4'-P energy: -49.069
tors. eta vs tors. theta energy: -85.014
Dist. restrs. and SS energy: 2.645 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -1060.569353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.569353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.738159 (E_RNA)
where:
Base-Base interactions energy: -734.818
where: short stacking energy: -320.339
Base-Backbone interact. energy: -1.607
local terms energy: -330.312965
where:
bonds (distance) C4'-P energy: -55.480
bonds (distance) P-C4' energy: -63.474
flat angles C4'-P-C4' energy: -67.048
flat angles P-C4'-P energy: -50.260
tors. eta vs tors. theta energy: -94.050
Dist. restrs. and SS energy: 6.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -1018.518871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.518871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.525296 (E_RNA)
where:
Base-Base interactions energy: -705.023
where: short stacking energy: -267.630
Base-Backbone interact. energy: -0.853
local terms energy: -320.648627
where:
bonds (distance) C4'-P energy: -66.648
bonds (distance) P-C4' energy: -66.207
flat angles C4'-P-C4' energy: -69.475
flat angles P-C4'-P energy: -38.336
tors. eta vs tors. theta energy: -79.983
Dist. restrs. and SS energy: 8.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -952.009175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.009175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.364435 (E_RNA)
where:
Base-Base interactions energy: -669.148
where: short stacking energy: -277.998
Base-Backbone interact. energy: -0.647
local terms energy: -286.569681
where:
bonds (distance) C4'-P energy: -43.315
bonds (distance) P-C4' energy: -65.792
flat angles C4'-P-C4' energy: -63.339
flat angles P-C4'-P energy: -39.778
tors. eta vs tors. theta energy: -74.346
Dist. restrs. and SS energy: 4.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -950.466351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.466351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.256009 (E_RNA)
where:
Base-Base interactions energy: -657.985
where: short stacking energy: -276.805
Base-Backbone interact. energy: -1.545
local terms energy: -296.726298
where:
bonds (distance) C4'-P energy: -63.455
bonds (distance) P-C4' energy: -60.563
flat angles C4'-P-C4' energy: -64.120
flat angles P-C4'-P energy: -35.685
tors. eta vs tors. theta energy: -72.902
Dist. restrs. and SS energy: 5.790 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -902.909551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.909551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.134187 (E_RNA)
where:
Base-Base interactions energy: -620.238
where: short stacking energy: -248.359
Base-Backbone interact. energy: -1.413
local terms energy: -285.483839
where:
bonds (distance) C4'-P energy: -46.808
bonds (distance) P-C4' energy: -73.458
flat angles C4'-P-C4' energy: -66.068
flat angles P-C4'-P energy: -44.654
tors. eta vs tors. theta energy: -54.497
Dist. restrs. and SS energy: 4.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -869.651312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.651312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.400060 (E_RNA)
where:
Base-Base interactions energy: -608.772
where: short stacking energy: -234.425
Base-Backbone interact. energy: -1.816
local terms energy: -262.811940
where:
bonds (distance) C4'-P energy: -58.259
bonds (distance) P-C4' energy: -44.963
flat angles C4'-P-C4' energy: -56.485
flat angles P-C4'-P energy: -46.578
tors. eta vs tors. theta energy: -56.527
Dist. restrs. and SS energy: 3.749 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -1241.490940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.490940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.175020 (E_RNA)
where:
Base-Base interactions energy: -864.606
where: short stacking energy: -355.322
Base-Backbone interact. energy: -1.827
local terms energy: -377.742208
where:
bonds (distance) C4'-P energy: -76.114
bonds (distance) P-C4' energy: -74.718
flat angles C4'-P-C4' energy: -72.856
flat angles P-C4'-P energy: -51.978
tors. eta vs tors. theta energy: -102.075
Dist. restrs. and SS energy: 2.684 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -1193.289707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.289707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.162232 (E_RNA)
where:
Base-Base interactions energy: -855.118
where: short stacking energy: -329.098
Base-Backbone interact. energy: -1.778
local terms energy: -339.265742
where:
bonds (distance) C4'-P energy: -65.378
bonds (distance) P-C4' energy: -70.929
flat angles C4'-P-C4' energy: -68.846
flat angles P-C4'-P energy: -40.631
tors. eta vs tors. theta energy: -93.481
Dist. restrs. and SS energy: 2.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -1145.573709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.573709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.652910 (E_RNA)
where:
Base-Base interactions energy: -793.262
where: short stacking energy: -339.788
Base-Backbone interact. energy: -1.822
local terms energy: -354.569550
where:
bonds (distance) C4'-P energy: -67.889
bonds (distance) P-C4' energy: -71.293
flat angles C4'-P-C4' energy: -71.264
flat angles P-C4'-P energy: -45.498
tors. eta vs tors. theta energy: -98.626
Dist. restrs. and SS energy: 4.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -1085.382792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.382792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.296833 (E_RNA)
where:
Base-Base interactions energy: -764.831
where: short stacking energy: -293.118
Base-Backbone interact. energy: -3.226
local terms energy: -321.240006
where:
bonds (distance) C4'-P energy: -60.761
bonds (distance) P-C4' energy: -61.857
flat angles C4'-P-C4' energy: -66.116
flat angles P-C4'-P energy: -52.614
tors. eta vs tors. theta energy: -79.893
Dist. restrs. and SS energy: 3.914 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -1068.238784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.238784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.011919 (E_RNA)
where:
Base-Base interactions energy: -732.199
where: short stacking energy: -309.414
Base-Backbone interact. energy: -2.571
local terms energy: -336.242479
where:
bonds (distance) C4'-P energy: -64.261
bonds (distance) P-C4' energy: -61.919
flat angles C4'-P-C4' energy: -75.251
flat angles P-C4'-P energy: -44.823
tors. eta vs tors. theta energy: -89.989
Dist. restrs. and SS energy: 2.773 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -993.774991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.774991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.088686 (E_RNA)
where:
Base-Base interactions energy: -709.467
where: short stacking energy: -271.625
Base-Backbone interact. energy: 0.478
local terms energy: -292.099322
where:
bonds (distance) C4'-P energy: -62.421
bonds (distance) P-C4' energy: -52.991
flat angles C4'-P-C4' energy: -72.736
flat angles P-C4'-P energy: -41.151
tors. eta vs tors. theta energy: -62.801
Dist. restrs. and SS energy: 7.314 (S_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: 289
Temperature: 1.200000
Total energy: -964.383420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.383420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.188392 (E_RNA)
where:
Base-Base interactions energy: -661.882
where: short stacking energy: -276.394
Base-Backbone interact. energy: -1.426
local terms energy: -307.880371
where:
bonds (distance) C4'-P energy: -59.859
bonds (distance) P-C4' energy: -59.650
flat angles C4'-P-C4' energy: -71.186
flat angles P-C4'-P energy: -42.986
tors. eta vs tors. theta energy: -74.199
Dist. restrs. and SS energy: 6.805 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -912.616172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.616172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.336965 (E_RNA)
where:
Base-Base interactions energy: -632.316
where: short stacking energy: -247.371
Base-Backbone interact. energy: -0.857
local terms energy: -285.164038
where:
bonds (distance) C4'-P energy: -60.867
bonds (distance) P-C4' energy: -62.594
flat angles C4'-P-C4' energy: -62.770
flat angles P-C4'-P energy: -33.123
tors. eta vs tors. theta energy: -65.810
Dist. restrs. and SS energy: 5.721 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -870.380424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.380424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.078465 (E_RNA)
where:
Base-Base interactions energy: -614.186
where: short stacking energy: -246.038
Base-Backbone interact. energy: 3.145
local terms energy: -266.037284
where:
bonds (distance) C4'-P energy: -71.009
bonds (distance) P-C4' energy: -53.867
flat angles C4'-P-C4' energy: -52.242
flat angles P-C4'-P energy: -34.212
tors. eta vs tors. theta energy: -54.708
Dist. restrs. and SS energy: 6.698 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -833.049003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.049003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.665037 (E_RNA)
where:
Base-Base interactions energy: -608.457
where: short stacking energy: -235.192
Base-Backbone interact. energy: -2.104
local terms energy: -226.103670
where:
bonds (distance) C4'-P energy: -38.869
bonds (distance) P-C4' energy: -58.027
flat angles C4'-P-C4' energy: -57.617
flat angles P-C4'-P energy: -21.816
tors. eta vs tors. theta energy: -49.774
Dist. restrs. and SS energy: 3.616 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -1218.442651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.442651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.617444 (E_RNA)
where:
Base-Base interactions energy: -846.923
where: short stacking energy: -352.477
Base-Backbone interact. energy: -1.614
local terms energy: -373.080176
where:
bonds (distance) C4'-P energy: -67.345
bonds (distance) P-C4' energy: -78.616
flat angles C4'-P-C4' energy: -73.575
flat angles P-C4'-P energy: -46.678
tors. eta vs tors. theta energy: -106.867
Dist. restrs. and SS energy: 3.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -1200.201620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.201620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.968647 (E_RNA)
where:
Base-Base interactions energy: -858.622
where: short stacking energy: -340.125
Base-Backbone interact. energy: -1.216
local terms energy: -343.130552
where:
bonds (distance) C4'-P energy: -57.523
bonds (distance) P-C4' energy: -63.260
flat angles C4'-P-C4' energy: -71.778
flat angles P-C4'-P energy: -57.193
tors. eta vs tors. theta energy: -93.377
Dist. restrs. and SS energy: 2.767 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -1123.242124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.242124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.305102 (E_RNA)
where:
Base-Base interactions energy: -777.694
where: short stacking energy: -325.404
Base-Backbone interact. energy: -1.209
local terms energy: -347.401753
where:
bonds (distance) C4'-P energy: -49.344
bonds (distance) P-C4' energy: -72.251
flat angles C4'-P-C4' energy: -80.891
flat angles P-C4'-P energy: -47.505
tors. eta vs tors. theta energy: -97.412
Dist. restrs. and SS energy: 3.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -1076.351595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.351595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.297300 (E_RNA)
where:
Base-Base interactions energy: -760.778
where: short stacking energy: -290.671
Base-Backbone interact. energy: -0.087
local terms energy: -318.432820
where:
bonds (distance) C4'-P energy: -63.412
bonds (distance) P-C4' energy: -64.863
flat angles C4'-P-C4' energy: -66.405
flat angles P-C4'-P energy: -44.710
tors. eta vs tors. theta energy: -79.043
Dist. restrs. and SS energy: 2.946 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -1051.213585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.213585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.590081 (E_RNA)
where:
Base-Base interactions energy: -734.238
where: short stacking energy: -305.093
Base-Backbone interact. energy: -1.661
local terms energy: -319.691694
where:
bonds (distance) C4'-P energy: -55.381
bonds (distance) P-C4' energy: -60.629
flat angles C4'-P-C4' energy: -73.109
flat angles P-C4'-P energy: -44.174
tors. eta vs tors. theta energy: -86.399
Dist. restrs. and SS energy: 4.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -963.160117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.160117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.183456 (E_RNA)
where:
Base-Base interactions energy: -674.870
where: short stacking energy: -259.740
Base-Backbone interact. energy: 2.011
local terms energy: -295.324669
where:
bonds (distance) C4'-P energy: -59.579
bonds (distance) P-C4' energy: -64.864
flat angles C4'-P-C4' energy: -67.702
flat angles P-C4'-P energy: -40.054
tors. eta vs tors. theta energy: -63.126
Dist. restrs. and SS energy: 5.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -968.210586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.210586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.739900 (E_RNA)
where:
Base-Base interactions energy: -677.738
where: short stacking energy: -272.850
Base-Backbone interact. energy: -0.955
local terms energy: -298.046680
where:
bonds (distance) C4'-P energy: -55.013
bonds (distance) P-C4' energy: -55.343
flat angles C4'-P-C4' energy: -64.377
flat angles P-C4'-P energy: -50.719
tors. eta vs tors. theta energy: -72.594
Dist. restrs. and SS energy: 8.529 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -909.669389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.669389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.424527 (E_RNA)
where:
Base-Base interactions energy: -653.025
where: short stacking energy: -252.887
Base-Backbone interact. energy: -1.971
local terms energy: -262.429383
where:
bonds (distance) C4'-P energy: -55.236
bonds (distance) P-C4' energy: -55.915
flat angles C4'-P-C4' energy: -54.525
flat angles P-C4'-P energy: -41.998
tors. eta vs tors. theta energy: -54.756
Dist. restrs. and SS energy: 7.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -864.327458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.327458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.507531 (E_RNA)
where:
Base-Base interactions energy: -612.224
where: short stacking energy: -231.490
Base-Backbone interact. energy: -2.035
local terms energy: -261.248119
where:
bonds (distance) C4'-P energy: -64.227
bonds (distance) P-C4' energy: -54.069
flat angles C4'-P-C4' energy: -58.771
flat angles P-C4'-P energy: -36.100
tors. eta vs tors. theta energy: -48.082
Dist. restrs. and SS energy: 11.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -844.524941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.524941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.741798 (E_RNA)
where:
Base-Base interactions energy: -600.041
where: short stacking energy: -234.892
Base-Backbone interact. energy: -0.176
local terms energy: -247.524478
where:
bonds (distance) C4'-P energy: -53.576
bonds (distance) P-C4' energy: -52.038
flat angles C4'-P-C4' energy: -59.213
flat angles P-C4'-P energy: -35.422
tors. eta vs tors. theta energy: -47.275
Dist. restrs. and SS energy: 3.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -1230.035263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.035263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.973896 (E_RNA)
where:
Base-Base interactions energy: -871.799
where: short stacking energy: -354.963
Base-Backbone interact. energy: 2.592
local terms energy: -363.767105
where:
bonds (distance) C4'-P energy: -71.299
bonds (distance) P-C4' energy: -63.621
flat angles C4'-P-C4' energy: -71.764
flat angles P-C4'-P energy: -54.906
tors. eta vs tors. theta energy: -102.178
Dist. restrs. and SS energy: 2.939 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -1199.096325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.096325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.413007 (E_RNA)
where:
Base-Base interactions energy: -850.543
where: short stacking energy: -330.436
Base-Backbone interact. energy: -1.678
local terms energy: -350.191960
where:
bonds (distance) C4'-P energy: -64.874
bonds (distance) P-C4' energy: -70.981
flat angles C4'-P-C4' energy: -69.188
flat angles P-C4'-P energy: -49.606
tors. eta vs tors. theta energy: -95.543
Dist. restrs. and SS energy: 3.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -1141.528180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.528180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.912189 (E_RNA)
where:
Base-Base interactions energy: -800.464
where: short stacking energy: -342.190
Base-Backbone interact. energy: -2.549
local terms energy: -340.898759
where:
bonds (distance) C4'-P energy: -58.405
bonds (distance) P-C4' energy: -59.309
flat angles C4'-P-C4' energy: -73.299
flat angles P-C4'-P energy: -47.985
tors. eta vs tors. theta energy: -101.902
Dist. restrs. and SS energy: 2.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -1067.823810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.823810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.766047 (E_RNA)
where:
Base-Base interactions energy: -749.205
where: short stacking energy: -310.063
Base-Backbone interact. energy: -2.105
local terms energy: -320.456083
where:
bonds (distance) C4'-P energy: -63.459
bonds (distance) P-C4' energy: -51.510
flat angles C4'-P-C4' energy: -79.988
flat angles P-C4'-P energy: -44.885
tors. eta vs tors. theta energy: -80.614
Dist. restrs. and SS energy: 3.942 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -1063.974095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.974095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.833547 (E_RNA)
where:
Base-Base interactions energy: -757.547
where: short stacking energy: -295.146
Base-Backbone interact. energy: -2.149
local terms energy: -307.137597
where:
bonds (distance) C4'-P energy: -58.397
bonds (distance) P-C4' energy: -56.581
flat angles C4'-P-C4' energy: -74.572
flat angles P-C4'-P energy: -40.972
tors. eta vs tors. theta energy: -76.615
Dist. restrs. and SS energy: 2.859 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -988.378977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.378977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.999529 (E_RNA)
where:
Base-Base interactions energy: -679.788
where: short stacking energy: -281.349
Base-Backbone interact. energy: -0.634
local terms energy: -311.577330
where:
bonds (distance) C4'-P energy: -65.731
bonds (distance) P-C4' energy: -62.512
flat angles C4'-P-C4' energy: -59.225
flat angles P-C4'-P energy: -44.889
tors. eta vs tors. theta energy: -79.220
Dist. restrs. and SS energy: 3.621 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -980.976503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.976503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.102964 (E_RNA)
where:
Base-Base interactions energy: -675.195
where: short stacking energy: -269.431
Base-Backbone interact. energy: -1.155
local terms energy: -307.752613
where:
bonds (distance) C4'-P energy: -51.130
bonds (distance) P-C4' energy: -73.128
flat angles C4'-P-C4' energy: -75.760
flat angles P-C4'-P energy: -46.404
tors. eta vs tors. theta energy: -61.331
Dist. restrs. and SS energy: 3.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -924.498404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.498404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.933781 (E_RNA)
where:
Base-Base interactions energy: -637.388
where: short stacking energy: -267.558
Base-Backbone interact. energy: -2.289
local terms energy: -295.256740
where:
bonds (distance) C4'-P energy: -57.085
bonds (distance) P-C4' energy: -58.345
flat angles C4'-P-C4' energy: -62.768
flat angles P-C4'-P energy: -43.858
tors. eta vs tors. theta energy: -73.200
Dist. restrs. and SS energy: 10.435 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -887.150479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.150479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.077361 (E_RNA)
where:
Base-Base interactions energy: -632.628
where: short stacking energy: -250.105
Base-Backbone interact. energy: -1.125
local terms energy: -262.324576
where:
bonds (distance) C4'-P energy: -54.316
bonds (distance) P-C4' energy: -57.689
flat angles C4'-P-C4' energy: -54.388
flat angles P-C4'-P energy: -27.770
tors. eta vs tors. theta energy: -68.161
Dist. restrs. and SS energy: 8.927 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -814.085229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.085229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.708801 (E_RNA)
where:
Base-Base interactions energy: -579.599
where: short stacking energy: -227.410
Base-Backbone interact. energy: -0.564
local terms energy: -242.546013
where:
bonds (distance) C4'-P energy: -44.030
bonds (distance) P-C4' energy: -54.368
flat angles C4'-P-C4' energy: -39.892
flat angles P-C4'-P energy: -42.006
tors. eta vs tors. theta energy: -62.249
Dist. restrs. and SS energy: 8.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -1245.164872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.164872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.637610 (E_RNA)
where:
Base-Base interactions energy: -853.485
where: short stacking energy: -351.079
Base-Backbone interact. energy: -1.681
local terms energy: -393.471739
where:
bonds (distance) C4'-P energy: -83.794
bonds (distance) P-C4' energy: -70.288
flat angles C4'-P-C4' energy: -75.400
flat angles P-C4'-P energy: -51.915
tors. eta vs tors. theta energy: -112.075
Dist. restrs. and SS energy: 3.473 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -1205.013670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.013670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.692728 (E_RNA)
where:
Base-Base interactions energy: -858.444
where: short stacking energy: -332.645
Base-Backbone interact. energy: -2.952
local terms energy: -347.296881
where:
bonds (distance) C4'-P energy: -61.551
bonds (distance) P-C4' energy: -69.930
flat angles C4'-P-C4' energy: -75.632
flat angles P-C4'-P energy: -49.483
tors. eta vs tors. theta energy: -90.700
Dist. restrs. and SS energy: 3.679 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -1119.262823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.262823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.699495 (E_RNA)
where:
Base-Base interactions energy: -799.474
where: short stacking energy: -333.438
Base-Backbone interact. energy: -3.426
local terms energy: -321.799821
where:
bonds (distance) C4'-P energy: -60.155
bonds (distance) P-C4' energy: -58.529
flat angles C4'-P-C4' energy: -63.734
flat angles P-C4'-P energy: -40.541
tors. eta vs tors. theta energy: -98.840
Dist. restrs. and SS energy: 5.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -1108.687661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.687661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.904939 (E_RNA)
where:
Base-Base interactions energy: -750.029
where: short stacking energy: -314.836
Base-Backbone interact. energy: -3.871
local terms energy: -358.004980
where:
bonds (distance) C4'-P energy: -72.876
bonds (distance) P-C4' energy: -63.818
flat angles C4'-P-C4' energy: -73.624
flat angles P-C4'-P energy: -52.010
tors. eta vs tors. theta energy: -95.677
Dist. restrs. and SS energy: 3.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -1103.860532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.860532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.193027 (E_RNA)
where:
Base-Base interactions energy: -786.998
where: short stacking energy: -285.497
Base-Backbone interact. energy: -2.924
local terms energy: -317.271428
where:
bonds (distance) C4'-P energy: -61.496
bonds (distance) P-C4' energy: -67.603
flat angles C4'-P-C4' energy: -57.484
flat angles P-C4'-P energy: -48.444
tors. eta vs tors. theta energy: -82.245
Dist. restrs. and SS energy: 3.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -1026.268278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.268278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.371415 (E_RNA)
where:
Base-Base interactions energy: -725.711
where: short stacking energy: -289.690
Base-Backbone interact. energy: -1.496
local terms energy: -303.164172
where:
bonds (distance) C4'-P energy: -63.909
bonds (distance) P-C4' energy: -57.374
flat angles C4'-P-C4' energy: -59.237
flat angles P-C4'-P energy: -41.960
tors. eta vs tors. theta energy: -80.684
Dist. restrs. and SS energy: 4.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -964.952637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.952637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.602661 (E_RNA)
where:
Base-Base interactions energy: -668.202
where: short stacking energy: -262.051
Base-Backbone interact. energy: -3.189
local terms energy: -297.211515
where:
bonds (distance) C4'-P energy: -54.700
bonds (distance) P-C4' energy: -62.840
flat angles C4'-P-C4' energy: -62.776
flat angles P-C4'-P energy: -52.076
tors. eta vs tors. theta energy: -64.820
Dist. restrs. and SS energy: 3.650 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -929.197626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.197626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.592033 (E_RNA)
where:
Base-Base interactions energy: -650.385
where: short stacking energy: -256.136
Base-Backbone interact. energy: -1.290
local terms energy: -281.917134
where:
bonds (distance) C4'-P energy: -57.626
bonds (distance) P-C4' energy: -52.864
flat angles C4'-P-C4' energy: -71.227
flat angles P-C4'-P energy: -39.960
tors. eta vs tors. theta energy: -60.240
Dist. restrs. and SS energy: 4.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -879.040424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.040424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.581474 (E_RNA)
where:
Base-Base interactions energy: -609.615
where: short stacking energy: -228.782
Base-Backbone interact. energy: 1.672
local terms energy: -278.638798
where:
bonds (distance) C4'-P energy: -56.103
bonds (distance) P-C4' energy: -50.376
flat angles C4'-P-C4' energy: -68.693
flat angles P-C4'-P energy: -45.943
tors. eta vs tors. theta energy: -57.524
Dist. restrs. and SS energy: 7.541 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -810.197942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.197942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.012108 (E_RNA)
where:
Base-Base interactions energy: -571.721
where: short stacking energy: -219.841
Base-Backbone interact. energy: -1.790
local terms energy: -242.501372
where:
bonds (distance) C4'-P energy: -48.055
bonds (distance) P-C4' energy: -70.345
flat angles C4'-P-C4' energy: -52.880
flat angles P-C4'-P energy: -26.538
tors. eta vs tors. theta energy: -44.685
Dist. restrs. and SS energy: 5.814 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -1214.153532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.153532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.656514 (E_RNA)
where:
Base-Base interactions energy: -852.526
where: short stacking energy: -356.643
Base-Backbone interact. energy: -1.527
local terms energy: -362.603602
where:
bonds (distance) C4'-P energy: -66.553
bonds (distance) P-C4' energy: -61.839
flat angles C4'-P-C4' energy: -80.227
flat angles P-C4'-P energy: -50.105
tors. eta vs tors. theta energy: -103.879
Dist. restrs. and SS energy: 2.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -1206.095345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.095345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.982380 (E_RNA)
where:
Base-Base interactions energy: -867.241
where: short stacking energy: -345.109
Base-Backbone interact. energy: 0.410
local terms energy: -342.151403
where:
bonds (distance) C4'-P energy: -58.473
bonds (distance) P-C4' energy: -69.601
flat angles C4'-P-C4' energy: -65.443
flat angles P-C4'-P energy: -59.760
tors. eta vs tors. theta energy: -88.874
Dist. restrs. and SS energy: 2.887 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -1154.048696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.048696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.666745 (E_RNA)
where:
Base-Base interactions energy: -804.530
where: short stacking energy: -337.573
Base-Backbone interact. energy: -2.714
local terms energy: -349.422258
where:
bonds (distance) C4'-P energy: -76.347
bonds (distance) P-C4' energy: -51.922
flat angles C4'-P-C4' energy: -80.440
flat angles P-C4'-P energy: -46.072
tors. eta vs tors. theta energy: -94.641
Dist. restrs. and SS energy: 2.618 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -1150.033616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.033616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.766056 (E_RNA)
where:
Base-Base interactions energy: -806.359
where: short stacking energy: -330.512
Base-Backbone interact. energy: -1.516
local terms energy: -344.891321
where:
bonds (distance) C4'-P energy: -63.326
bonds (distance) P-C4' energy: -70.745
flat angles C4'-P-C4' energy: -76.847
flat angles P-C4'-P energy: -42.345
tors. eta vs tors. theta energy: -91.628
Dist. restrs. and SS energy: 2.732 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -1076.178680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.178680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.010626 (E_RNA)
where:
Base-Base interactions energy: -750.905
where: short stacking energy: -307.464
Base-Backbone interact. energy: -2.276
local terms energy: -329.829048
where:
bonds (distance) C4'-P energy: -62.483
bonds (distance) P-C4' energy: -64.832
flat angles C4'-P-C4' energy: -71.683
flat angles P-C4'-P energy: -45.021
tors. eta vs tors. theta energy: -85.811
Dist. restrs. and SS energy: 6.832 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -1003.967406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.967406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.451303 (E_RNA)
where:
Base-Base interactions energy: -692.827
where: short stacking energy: -259.300
Base-Backbone interact. energy: -0.526
local terms energy: -315.098916
where:
bonds (distance) C4'-P energy: -59.883
bonds (distance) P-C4' energy: -69.158
flat angles C4'-P-C4' energy: -72.591
flat angles P-C4'-P energy: -44.491
tors. eta vs tors. theta energy: -68.976
Dist. restrs. and SS energy: 4.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -963.523904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.523904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.984145 (E_RNA)
where:
Base-Base interactions energy: -673.315
where: short stacking energy: -268.252
Base-Backbone interact. energy: -1.337
local terms energy: -293.331677
where:
bonds (distance) C4'-P energy: -61.922
bonds (distance) P-C4' energy: -59.043
flat angles C4'-P-C4' energy: -61.776
flat angles P-C4'-P energy: -38.373
tors. eta vs tors. theta energy: -72.217
Dist. restrs. and SS energy: 4.460 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -936.934231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.934231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.980529 (E_RNA)
where:
Base-Base interactions energy: -641.687
where: short stacking energy: -273.053
Base-Backbone interact. energy: -2.190
local terms energy: -297.103082
where:
bonds (distance) C4'-P energy: -59.287
bonds (distance) P-C4' energy: -57.036
flat angles C4'-P-C4' energy: -55.711
flat angles P-C4'-P energy: -45.585
tors. eta vs tors. theta energy: -79.485
Dist. restrs. and SS energy: 4.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -841.968013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.968013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.926862 (E_RNA)
where:
Base-Base interactions energy: -594.571
where: short stacking energy: -226.282
Base-Backbone interact. energy: -0.265
local terms energy: -253.090422
where:
bonds (distance) C4'-P energy: -52.215
bonds (distance) P-C4' energy: -58.422
flat angles C4'-P-C4' energy: -57.829
flat angles P-C4'-P energy: -30.739
tors. eta vs tors. theta energy: -53.886
Dist. restrs. and SS energy: 5.959 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -807.393867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.393867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.270915 (E_RNA)
where:
Base-Base interactions energy: -575.417
where: short stacking energy: -225.085
Base-Backbone interact. energy: -5.033
local terms energy: -238.820427
where:
bonds (distance) C4'-P energy: -61.120
bonds (distance) P-C4' energy: -46.992
flat angles C4'-P-C4' energy: -45.748
flat angles P-C4'-P energy: -32.643
tors. eta vs tors. theta energy: -52.318
Dist. restrs. and SS energy: 11.877 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -1215.789576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.789576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.479946 (E_RNA)
where:
Base-Base interactions energy: -864.649
where: short stacking energy: -352.017
Base-Backbone interact. energy: -1.567
local terms energy: -353.264259
where:
bonds (distance) C4'-P energy: -71.817
bonds (distance) P-C4' energy: -62.519
flat angles C4'-P-C4' energy: -71.551
flat angles P-C4'-P energy: -51.046
tors. eta vs tors. theta energy: -96.331
Dist. restrs. and SS energy: 3.690 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -1161.520274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.520274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.449012 (E_RNA)
where:
Base-Base interactions energy: -802.957
where: short stacking energy: -347.186
Base-Backbone interact. energy: -2.972
local terms energy: -358.519956
where:
bonds (distance) C4'-P energy: -69.583
bonds (distance) P-C4' energy: -70.645
flat angles C4'-P-C4' energy: -76.684
flat angles P-C4'-P energy: -39.957
tors. eta vs tors. theta energy: -101.651
Dist. restrs. and SS energy: 2.929 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -1160.347090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.347090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.502263 (E_RNA)
where:
Base-Base interactions energy: -829.642
where: short stacking energy: -330.897
Base-Backbone interact. energy: 2.467
local terms energy: -336.326995
where:
bonds (distance) C4'-P energy: -64.804
bonds (distance) P-C4' energy: -57.629
flat angles C4'-P-C4' energy: -68.764
flat angles P-C4'-P energy: -53.099
tors. eta vs tors. theta energy: -92.031
Dist. restrs. and SS energy: 3.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -1095.348702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.348702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.386893 (E_RNA)
where:
Base-Base interactions energy: -760.429
where: short stacking energy: -308.052
Base-Backbone interact. energy: -1.568
local terms energy: -337.389750
where:
bonds (distance) C4'-P energy: -66.865
bonds (distance) P-C4' energy: -66.631
flat angles C4'-P-C4' energy: -70.014
flat angles P-C4'-P energy: -41.663
tors. eta vs tors. theta energy: -92.217
Dist. restrs. and SS energy: 4.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -1063.834703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.834703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.652807 (E_RNA)
where:
Base-Base interactions energy: -736.256
where: short stacking energy: -306.495
Base-Backbone interact. energy: -0.917
local terms energy: -330.480030
where:
bonds (distance) C4'-P energy: -64.802
bonds (distance) P-C4' energy: -64.100
flat angles C4'-P-C4' energy: -74.251
flat angles P-C4'-P energy: -40.256
tors. eta vs tors. theta energy: -87.071
Dist. restrs. and SS energy: 3.818 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -1000.224028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.224028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.620770 (E_RNA)
where:
Base-Base interactions energy: -692.399
where: short stacking energy: -288.568
Base-Backbone interact. energy: -1.655
local terms energy: -311.567277
where:
bonds (distance) C4'-P energy: -52.529
bonds (distance) P-C4' energy: -68.113
flat angles C4'-P-C4' energy: -62.548
flat angles P-C4'-P energy: -47.589
tors. eta vs tors. theta energy: -80.789
Dist. restrs. and SS energy: 5.397 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -986.470192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.470192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.878814 (E_RNA)
where:
Base-Base interactions energy: -700.183
where: short stacking energy: -280.379
Base-Backbone interact. energy: 0.558
local terms energy: -290.253640
where:
bonds (distance) C4'-P energy: -48.187
bonds (distance) P-C4' energy: -61.128
flat angles C4'-P-C4' energy: -59.274
flat angles P-C4'-P energy: -47.402
tors. eta vs tors. theta energy: -74.263
Dist. restrs. and SS energy: 3.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -899.315163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.315163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.703444 (E_RNA)
where:
Base-Base interactions energy: -650.357
where: short stacking energy: -253.851
Base-Backbone interact. energy: 2.060
local terms energy: -256.406583
where:
bonds (distance) C4'-P energy: -43.299
bonds (distance) P-C4' energy: -50.667
flat angles C4'-P-C4' energy: -56.408
flat angles P-C4'-P energy: -35.054
tors. eta vs tors. theta energy: -70.978
Dist. restrs. and SS energy: 5.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -892.208278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.208278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.337030 (E_RNA)
where:
Base-Base interactions energy: -633.298
where: short stacking energy: -253.115
Base-Backbone interact. energy: 1.957
local terms energy: -265.995826
where:
bonds (distance) C4'-P energy: -50.587
bonds (distance) P-C4' energy: -47.159
flat angles C4'-P-C4' energy: -65.514
flat angles P-C4'-P energy: -39.275
tors. eta vs tors. theta energy: -63.462
Dist. restrs. and SS energy: 5.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -856.328928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.328928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.831498 (E_RNA)
where:
Base-Base interactions energy: -593.652
where: short stacking energy: -222.539
Base-Backbone interact. energy: -1.873
local terms energy: -264.306639
where:
bonds (distance) C4'-P energy: -52.451
bonds (distance) P-C4' energy: -68.340
flat angles C4'-P-C4' energy: -60.118
flat angles P-C4'-P energy: -40.520
tors. eta vs tors. theta energy: -42.878
Dist. restrs. and SS energy: 3.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -1208.140471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.140471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.024865 (E_RNA)
where:
Base-Base interactions energy: -850.954
where: short stacking energy: -334.171
Base-Backbone interact. energy: 1.497
local terms energy: -361.568038
where:
bonds (distance) C4'-P energy: -62.744
bonds (distance) P-C4' energy: -73.352
flat angles C4'-P-C4' energy: -81.753
flat angles P-C4'-P energy: -49.044
tors. eta vs tors. theta energy: -94.674
Dist. restrs. and SS energy: 2.884 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -1181.069345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.069345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.694094 (E_RNA)
where:
Base-Base interactions energy: -835.438
where: short stacking energy: -321.244
Base-Backbone interact. energy: -3.214
local terms energy: -345.042376
where:
bonds (distance) C4'-P energy: -64.726
bonds (distance) P-C4' energy: -60.644
flat angles C4'-P-C4' energy: -77.366
flat angles P-C4'-P energy: -50.115
tors. eta vs tors. theta energy: -92.191
Dist. restrs. and SS energy: 2.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -1143.923032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.923032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.621546 (E_RNA)
where:
Base-Base interactions energy: -812.005
where: short stacking energy: -342.480
Base-Backbone interact. energy: -2.639
local terms energy: -331.978219
where:
bonds (distance) C4'-P energy: -56.410
bonds (distance) P-C4' energy: -57.428
flat angles C4'-P-C4' energy: -65.886
flat angles P-C4'-P energy: -59.725
tors. eta vs tors. theta energy: -92.529
Dist. restrs. and SS energy: 2.699 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -1057.027488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.027488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.966655 (E_RNA)
where:
Base-Base interactions energy: -762.624
where: short stacking energy: -305.608
Base-Backbone interact. energy: 0.734
local terms energy: -301.076106
where:
bonds (distance) C4'-P energy: -51.146
bonds (distance) P-C4' energy: -53.199
flat angles C4'-P-C4' energy: -72.998
flat angles P-C4'-P energy: -47.843
tors. eta vs tors. theta energy: -75.890
Dist. restrs. and SS energy: 5.939 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -1054.415206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.415206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.660201 (E_RNA)
where:
Base-Base interactions energy: -749.861
where: short stacking energy: -318.713
Base-Backbone interact. energy: -1.238
local terms energy: -306.561137
where:
bonds (distance) C4'-P energy: -49.758
bonds (distance) P-C4' energy: -54.294
flat angles C4'-P-C4' energy: -69.439
flat angles P-C4'-P energy: -47.871
tors. eta vs tors. theta energy: -85.198
Dist. restrs. and SS energy: 3.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -1003.338760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.338760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.478949 (E_RNA)
where:
Base-Base interactions energy: -684.608
where: short stacking energy: -291.474
Base-Backbone interact. energy: -0.147
local terms energy: -326.723649
where:
bonds (distance) C4'-P energy: -52.870
bonds (distance) P-C4' energy: -68.566
flat angles C4'-P-C4' energy: -70.868
flat angles P-C4'-P energy: -54.434
tors. eta vs tors. theta energy: -79.985
Dist. restrs. and SS energy: 8.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -991.793918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.793918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.877514 (E_RNA)
where:
Base-Base interactions energy: -708.479
where: short stacking energy: -283.870
Base-Backbone interact. energy: -0.342
local terms energy: -286.056170
where:
bonds (distance) C4'-P energy: -57.601
bonds (distance) P-C4' energy: -47.611
flat angles C4'-P-C4' energy: -63.753
flat angles P-C4'-P energy: -39.221
tors. eta vs tors. theta energy: -77.871
Dist. restrs. and SS energy: 3.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -953.589999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.589999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.889974 (E_RNA)
where:
Base-Base interactions energy: -672.207
where: short stacking energy: -272.267
Base-Backbone interact. energy: -0.732
local terms energy: -283.950853
where:
bonds (distance) C4'-P energy: -45.870
bonds (distance) P-C4' energy: -60.904
flat angles C4'-P-C4' energy: -56.507
flat angles P-C4'-P energy: -44.040
tors. eta vs tors. theta energy: -76.631
Dist. restrs. and SS energy: 3.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -892.818429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.818429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.094396 (E_RNA)
where:
Base-Base interactions energy: -631.990
where: short stacking energy: -246.135
Base-Backbone interact. energy: -0.940
local terms energy: -264.164454
where:
bonds (distance) C4'-P energy: -56.769
bonds (distance) P-C4' energy: -44.758
flat angles C4'-P-C4' energy: -62.655
flat angles P-C4'-P energy: -34.574
tors. eta vs tors. theta energy: -65.409
Dist. restrs. and SS energy: 4.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -829.835445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.835445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.116957 (E_RNA)
where:
Base-Base interactions energy: -589.005
where: short stacking energy: -225.654
Base-Backbone interact. energy: 1.523
local terms energy: -251.635614
where:
bonds (distance) C4'-P energy: -61.513
bonds (distance) P-C4' energy: -55.369
flat angles C4'-P-C4' energy: -46.650
flat angles P-C4'-P energy: -40.005
tors. eta vs tors. theta energy: -48.099
Dist. restrs. and SS energy: 9.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -1214.658823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.658823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.751723 (E_RNA)
where:
Base-Base interactions energy: -837.307
where: short stacking energy: -342.623
Base-Backbone interact. energy: -2.258
local terms energy: -378.186666
where:
bonds (distance) C4'-P energy: -69.675
bonds (distance) P-C4' energy: -77.544
flat angles C4'-P-C4' energy: -79.839
flat angles P-C4'-P energy: -55.451
tors. eta vs tors. theta energy: -95.677
Dist. restrs. and SS energy: 3.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -1181.426402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.426402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.546234 (E_RNA)
where:
Base-Base interactions energy: -807.296
where: short stacking energy: -340.425
Base-Backbone interact. energy: -0.883
local terms energy: -376.367042
where:
bonds (distance) C4'-P energy: -70.261
bonds (distance) P-C4' energy: -64.593
flat angles C4'-P-C4' energy: -80.664
flat angles P-C4'-P energy: -55.476
tors. eta vs tors. theta energy: -105.372
Dist. restrs. and SS energy: 3.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -1130.920697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.920697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.352930 (E_RNA)
where:
Base-Base interactions energy: -779.472
where: short stacking energy: -322.413
Base-Backbone interact. energy: -2.259
local terms energy: -352.622120
where:
bonds (distance) C4'-P energy: -62.991
bonds (distance) P-C4' energy: -72.837
flat angles C4'-P-C4' energy: -73.289
flat angles P-C4'-P energy: -57.102
tors. eta vs tors. theta energy: -86.403
Dist. restrs. and SS energy: 3.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -1073.370913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.370913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.089623 (E_RNA)
where:
Base-Base interactions energy: -740.696
where: short stacking energy: -295.095
Base-Backbone interact. energy: -2.871
local terms energy: -335.521915
where:
bonds (distance) C4'-P energy: -64.625
bonds (distance) P-C4' energy: -66.021
flat angles C4'-P-C4' energy: -74.616
flat angles P-C4'-P energy: -46.463
tors. eta vs tors. theta energy: -83.796
Dist. restrs. and SS energy: 5.719 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -1047.464639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.464639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.265074 (E_RNA)
where:
Base-Base interactions energy: -726.433
where: short stacking energy: -309.968
Base-Backbone interact. energy: -1.439
local terms energy: -327.393898
where:
bonds (distance) C4'-P energy: -62.934
bonds (distance) P-C4' energy: -60.190
flat angles C4'-P-C4' energy: -67.456
flat angles P-C4'-P energy: -50.242
tors. eta vs tors. theta energy: -86.572
Dist. restrs. and SS energy: 7.800 (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: 296
Temperature: 1.150000
Total energy: -1020.040485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.040485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.445471 (E_RNA)
where:
Base-Base interactions energy: -714.411
where: short stacking energy: -284.696
Base-Backbone interact. energy: -3.301
local terms energy: -305.733679
where:
bonds (distance) C4'-P energy: -42.659
bonds (distance) P-C4' energy: -56.777
flat angles C4'-P-C4' energy: -75.917
flat angles P-C4'-P energy: -49.931
tors. eta vs tors. theta energy: -80.449
Dist. restrs. and SS energy: 3.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -973.069001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.069001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.722760 (E_RNA)
where:
Base-Base interactions energy: -665.259
where: short stacking energy: -265.502
Base-Backbone interact. energy: -2.476
local terms energy: -308.987888
where:
bonds (distance) C4'-P energy: -67.696
bonds (distance) P-C4' energy: -49.432
flat angles C4'-P-C4' energy: -62.836
flat angles P-C4'-P energy: -54.432
tors. eta vs tors. theta energy: -74.593
Dist. restrs. and SS energy: 3.654 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -943.334546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.334546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.688254 (E_RNA)
where:
Base-Base interactions energy: -655.573
where: short stacking energy: -253.255
Base-Backbone interact. energy: -1.636
local terms energy: -293.478525
where:
bonds (distance) C4'-P energy: -54.461
bonds (distance) P-C4' energy: -59.132
flat angles C4'-P-C4' energy: -62.533
flat angles P-C4'-P energy: -47.582
tors. eta vs tors. theta energy: -69.769
Dist. restrs. and SS energy: 7.354 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -855.469252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.469252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.185558 (E_RNA)
where:
Base-Base interactions energy: -596.261
where: short stacking energy: -227.905
Base-Backbone interact. energy: -3.527
local terms energy: -259.398031
where:
bonds (distance) C4'-P energy: -46.277
bonds (distance) P-C4' energy: -69.606
flat angles C4'-P-C4' energy: -65.073
flat angles P-C4'-P energy: -33.916
tors. eta vs tors. theta energy: -44.526
Dist. restrs. and SS energy: 3.716 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -865.703231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.703231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.669089 (E_RNA)
where:
Base-Base interactions energy: -593.803
where: short stacking energy: -233.718
Base-Backbone interact. energy: -1.544
local terms energy: -277.321478
where:
bonds (distance) C4'-P energy: -55.996
bonds (distance) P-C4' energy: -61.827
flat angles C4'-P-C4' energy: -60.733
flat angles P-C4'-P energy: -48.796
tors. eta vs tors. theta energy: -49.971
Dist. restrs. and SS energy: 6.966 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -1215.679061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.679061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.233299 (E_RNA)
where:
Base-Base interactions energy: -842.941
where: short stacking energy: -333.692
Base-Backbone interact. energy: -4.366
local terms energy: -371.925631
where:
bonds (distance) C4'-P energy: -72.223
bonds (distance) P-C4' energy: -68.568
flat angles C4'-P-C4' energy: -80.714
flat angles P-C4'-P energy: -52.022
tors. eta vs tors. theta energy: -98.399
Dist. restrs. and SS energy: 3.554 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -1215.853800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.853800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.165538 (E_RNA)
where:
Base-Base interactions energy: -858.502
where: short stacking energy: -340.650
Base-Backbone interact. energy: -1.883
local terms energy: -358.780012
where:
bonds (distance) C4'-P energy: -63.693
bonds (distance) P-C4' energy: -69.642
flat angles C4'-P-C4' energy: -79.708
flat angles P-C4'-P energy: -44.099
tors. eta vs tors. theta energy: -101.637
Dist. restrs. and SS energy: 3.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -1113.448997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.448997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.460664 (E_RNA)
where:
Base-Base interactions energy: -775.441
where: short stacking energy: -321.946
Base-Backbone interact. energy: 0.183
local terms energy: -341.202939
where:
bonds (distance) C4'-P energy: -59.276
bonds (distance) P-C4' energy: -64.139
flat angles C4'-P-C4' energy: -74.470
flat angles P-C4'-P energy: -53.359
tors. eta vs tors. theta energy: -89.959
Dist. restrs. and SS energy: 3.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -1062.179298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.179298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.653153 (E_RNA)
where:
Base-Base interactions energy: -734.900
where: short stacking energy: -299.215
Base-Backbone interact. energy: -1.069
local terms energy: -329.683753
where:
bonds (distance) C4'-P energy: -52.176
bonds (distance) P-C4' energy: -66.864
flat angles C4'-P-C4' energy: -80.689
flat angles P-C4'-P energy: -44.306
tors. eta vs tors. theta energy: -85.649
Dist. restrs. and SS energy: 3.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -1050.091394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.091394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.293351 (E_RNA)
where:
Base-Base interactions energy: -725.155
where: short stacking energy: -275.830
Base-Backbone interact. energy: -3.253
local terms energy: -324.885405
where:
bonds (distance) C4'-P energy: -59.942
bonds (distance) P-C4' energy: -73.444
flat angles C4'-P-C4' energy: -69.044
flat angles P-C4'-P energy: -44.837
tors. eta vs tors. theta energy: -77.618
Dist. restrs. and SS energy: 3.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -1041.008795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.008795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.309049 (E_RNA)
where:
Base-Base interactions energy: -733.462
where: short stacking energy: -306.774
Base-Backbone interact. energy: -1.810
local terms energy: -311.037683
where:
bonds (distance) C4'-P energy: -55.463
bonds (distance) P-C4' energy: -56.454
flat angles C4'-P-C4' energy: -60.623
flat angles P-C4'-P energy: -53.734
tors. eta vs tors. theta energy: -84.764
Dist. restrs. and SS energy: 5.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -985.429086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.429086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.116084 (E_RNA)
where:
Base-Base interactions energy: -685.243
where: short stacking energy: -282.934
Base-Backbone interact. energy: -2.826
local terms energy: -303.046951
where:
bonds (distance) C4'-P energy: -52.898
bonds (distance) P-C4' energy: -69.830
flat angles C4'-P-C4' energy: -65.495
flat angles P-C4'-P energy: -44.227
tors. eta vs tors. theta energy: -70.597
Dist. restrs. and SS energy: 5.687 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -901.431779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.431779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.131835 (E_RNA)
where:
Base-Base interactions energy: -624.179
where: short stacking energy: -239.072
Base-Backbone interact. energy: -0.541
local terms energy: -283.411627
where:
bonds (distance) C4'-P energy: -57.295
bonds (distance) P-C4' energy: -68.875
flat angles C4'-P-C4' energy: -60.597
flat angles P-C4'-P energy: -37.420
tors. eta vs tors. theta energy: -59.225
Dist. restrs. and SS energy: 6.700 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -878.824031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.824031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.576892 (E_RNA)
where:
Base-Base interactions energy: -617.466
where: short stacking energy: -244.129
Base-Backbone interact. energy: 0.573
local terms energy: -265.683518
where:
bonds (distance) C4'-P energy: -52.914
bonds (distance) P-C4' energy: -55.644
flat angles C4'-P-C4' energy: -58.465
flat angles P-C4'-P energy: -41.310
tors. eta vs tors. theta energy: -57.350
Dist. restrs. and SS energy: 3.753 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -871.864965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.864965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.347610 (E_RNA)
where:
Base-Base interactions energy: -608.311
where: short stacking energy: -232.544
Base-Backbone interact. energy: -0.012
local terms energy: -271.024122
where:
bonds (distance) C4'-P energy: -52.157
bonds (distance) P-C4' energy: -63.560
flat angles C4'-P-C4' energy: -63.829
flat angles P-C4'-P energy: -29.948
tors. eta vs tors. theta energy: -61.529
Dist. restrs. and SS energy: 7.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -1202.206882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.206882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.973285 (E_RNA)
where:
Base-Base interactions energy: -846.391
where: short stacking energy: -331.580
Base-Backbone interact. energy: -3.035
local terms energy: -355.546726
where:
bonds (distance) C4'-P energy: -64.140
bonds (distance) P-C4' energy: -75.378
flat angles C4'-P-C4' energy: -75.302
flat angles P-C4'-P energy: -42.688
tors. eta vs tors. theta energy: -98.039
Dist. restrs. and SS energy: 2.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -1212.814927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.814927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.096534 (E_RNA)
where:
Base-Base interactions energy: -844.392
where: short stacking energy: -347.880
Base-Backbone interact. energy: -3.717
local terms energy: -367.986770
where:
bonds (distance) C4'-P energy: -69.808
bonds (distance) P-C4' energy: -58.762
flat angles C4'-P-C4' energy: -79.376
flat angles P-C4'-P energy: -57.316
tors. eta vs tors. theta energy: -102.725
Dist. restrs. and SS energy: 3.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -1133.279617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.279617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.391605 (E_RNA)
where:
Base-Base interactions energy: -795.704
where: short stacking energy: -309.379
Base-Backbone interact. energy: -3.508
local terms energy: -337.179648
where:
bonds (distance) C4'-P energy: -52.401
bonds (distance) P-C4' energy: -73.945
flat angles C4'-P-C4' energy: -63.951
flat angles P-C4'-P energy: -56.573
tors. eta vs tors. theta energy: -90.310
Dist. restrs. and SS energy: 3.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -1070.392518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.392518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.192927 (E_RNA)
where:
Base-Base interactions energy: -749.487
where: short stacking energy: -328.071
Base-Backbone interact. energy: -0.194
local terms energy: -325.512115
where:
bonds (distance) C4'-P energy: -59.386
bonds (distance) P-C4' energy: -67.912
flat angles C4'-P-C4' energy: -73.332
flat angles P-C4'-P energy: -39.955
tors. eta vs tors. theta energy: -84.927
Dist. restrs. and SS energy: 4.800 (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: 298
Temperature: 1.100000
Total energy: -1056.504204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.504204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.000733 (E_RNA)
where:
Base-Base interactions energy: -735.216
where: short stacking energy: -306.924
Base-Backbone interact. energy: 1.123
local terms energy: -327.907296
where:
bonds (distance) C4'-P energy: -72.675
bonds (distance) P-C4' energy: -56.806
flat angles C4'-P-C4' energy: -62.639
flat angles P-C4'-P energy: -50.533
tors. eta vs tors. theta energy: -85.254
Dist. restrs. and SS energy: 5.497 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -1028.644701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.644701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.501537 (E_RNA)
where:
Base-Base interactions energy: -742.948
where: short stacking energy: -282.984
Base-Backbone interact. energy: 1.220
local terms energy: -289.773708
where:
bonds (distance) C4'-P energy: -63.943
bonds (distance) P-C4' energy: -53.255
flat angles C4'-P-C4' energy: -64.358
flat angles P-C4'-P energy: -40.274
tors. eta vs tors. theta energy: -67.943
Dist. restrs. and SS energy: 2.857 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -897.377082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.377082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.678999 (E_RNA)
where:
Base-Base interactions energy: -636.199
where: short stacking energy: -252.520
Base-Backbone interact. energy: -1.878
local terms energy: -264.602290
where:
bonds (distance) C4'-P energy: -43.750
bonds (distance) P-C4' energy: -62.362
flat angles C4'-P-C4' energy: -65.015
flat angles P-C4'-P energy: -39.124
tors. eta vs tors. theta energy: -54.352
Dist. restrs. and SS energy: 5.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -931.413084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.413084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.014817 (E_RNA)
where:
Base-Base interactions energy: -661.138
where: short stacking energy: -267.118
Base-Backbone interact. energy: -0.093
local terms energy: -274.784165
where:
bonds (distance) C4'-P energy: -49.532
bonds (distance) P-C4' energy: -72.163
flat angles C4'-P-C4' energy: -49.713
flat angles P-C4'-P energy: -38.590
tors. eta vs tors. theta energy: -64.785
Dist. restrs. and SS energy: 4.602 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -892.659510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.659510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.551692 (E_RNA)
where:
Base-Base interactions energy: -627.343
where: short stacking energy: -261.080
Base-Backbone interact. energy: 1.800
local terms energy: -279.008617
where:
bonds (distance) C4'-P energy: -54.729
bonds (distance) P-C4' energy: -58.824
flat angles C4'-P-C4' energy: -61.731
flat angles P-C4'-P energy: -31.766
tors. eta vs tors. theta energy: -71.959
Dist. restrs. and SS energy: 11.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -837.661911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.661911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.490293 (E_RNA)
where:
Base-Base interactions energy: -596.107
where: short stacking energy: -242.531
Base-Backbone interact. energy: 1.011
local terms energy: -249.394192
where:
bonds (distance) C4'-P energy: -52.572
bonds (distance) P-C4' energy: -58.106
flat angles C4'-P-C4' energy: -50.593
flat angles P-C4'-P energy: -28.157
tors. eta vs tors. theta energy: -59.966
Dist. restrs. and SS energy: 6.828 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -1221.796962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.796962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.520522 (E_RNA)
where:
Base-Base interactions energy: -854.271
where: short stacking energy: -346.447
Base-Backbone interact. energy: 1.528
local terms energy: -371.776575
where:
bonds (distance) C4'-P energy: -68.506
bonds (distance) P-C4' energy: -68.736
flat angles C4'-P-C4' energy: -79.794
flat angles P-C4'-P energy: -58.212
tors. eta vs tors. theta energy: -96.529
Dist. restrs. and SS energy: 2.724 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -1172.080263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.080263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.034911 (E_RNA)
where:
Base-Base interactions energy: -819.267
where: short stacking energy: -329.012
Base-Backbone interact. energy: -2.163
local terms energy: -353.604685
where:
bonds (distance) C4'-P energy: -63.502
bonds (distance) P-C4' energy: -71.271
flat angles C4'-P-C4' energy: -81.467
flat angles P-C4'-P energy: -45.865
tors. eta vs tors. theta energy: -91.500
Dist. restrs. and SS energy: 2.955 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -1145.389625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.389625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.989767 (E_RNA)
where:
Base-Base interactions energy: -817.797
where: short stacking energy: -324.043
Base-Backbone interact. energy: -4.298
local terms energy: -325.895612
where:
bonds (distance) C4'-P energy: -60.164
bonds (distance) P-C4' energy: -66.056
flat angles C4'-P-C4' energy: -54.585
flat angles P-C4'-P energy: -52.695
tors. eta vs tors. theta energy: -92.396
Dist. restrs. and SS energy: 2.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -1089.342588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.342588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.186690 (E_RNA)
where:
Base-Base interactions energy: -767.897
where: short stacking energy: -313.137
Base-Backbone interact. energy: -2.923
local terms energy: -322.366334
where:
bonds (distance) C4'-P energy: -46.446
bonds (distance) P-C4' energy: -66.807
flat angles C4'-P-C4' energy: -70.675
flat angles P-C4'-P energy: -48.110
tors. eta vs tors. theta energy: -90.329
Dist. restrs. and SS energy: 3.844 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -1039.908086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.908086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.113460 (E_RNA)
where:
Base-Base interactions energy: -716.789
where: short stacking energy: -290.898
Base-Backbone interact. energy: -2.293
local terms energy: -325.031554
where:
bonds (distance) C4'-P energy: -66.704
bonds (distance) P-C4' energy: -53.492
flat angles C4'-P-C4' energy: -67.835
flat angles P-C4'-P energy: -54.163
tors. eta vs tors. theta energy: -82.837
Dist. restrs. and SS energy: 4.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -1012.942196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.942196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.351887 (E_RNA)
where:
Base-Base interactions energy: -706.586
where: short stacking energy: -274.432
Base-Backbone interact. energy: -2.870
local terms energy: -307.895891
where:
bonds (distance) C4'-P energy: -68.641
bonds (distance) P-C4' energy: -45.111
flat angles C4'-P-C4' energy: -71.691
flat angles P-C4'-P energy: -49.701
tors. eta vs tors. theta energy: -72.752
Dist. restrs. and SS energy: 4.410 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -928.811682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.811682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.241525 (E_RNA)
where:
Base-Base interactions energy: -654.248
where: short stacking energy: -240.782
Base-Backbone interact. energy: -1.823
local terms energy: -277.170472
where:
bonds (distance) C4'-P energy: -53.791
bonds (distance) P-C4' energy: -52.626
flat angles C4'-P-C4' energy: -62.000
flat angles P-C4'-P energy: -50.360
tors. eta vs tors. theta energy: -58.394
Dist. restrs. and SS energy: 4.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -928.151227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.151227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.740641 (E_RNA)
where:
Base-Base interactions energy: -663.630
where: short stacking energy: -268.507
Base-Backbone interact. energy: 1.058
local terms energy: -270.168251
where:
bonds (distance) C4'-P energy: -56.633
bonds (distance) P-C4' energy: -56.255
flat angles C4'-P-C4' energy: -53.777
flat angles P-C4'-P energy: -34.861
tors. eta vs tors. theta energy: -68.643
Dist. restrs. and SS energy: 4.589 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -880.464068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.464068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.630294 (E_RNA)
where:
Base-Base interactions energy: -617.862
where: short stacking energy: -257.036
Base-Backbone interact. energy: -0.747
local terms energy: -268.021206
where:
bonds (distance) C4'-P energy: -53.462
bonds (distance) P-C4' energy: -51.362
flat angles C4'-P-C4' energy: -65.900
flat angles P-C4'-P energy: -42.225
tors. eta vs tors. theta energy: -55.072
Dist. restrs. and SS energy: 6.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -857.569949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.569949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.973330 (E_RNA)
where:
Base-Base interactions energy: -618.610
where: short stacking energy: -232.455
Base-Backbone interact. energy: 2.217
local terms energy: -247.580750
where:
bonds (distance) C4'-P energy: -43.015
bonds (distance) P-C4' energy: -56.790
flat angles C4'-P-C4' energy: -56.609
flat angles P-C4'-P energy: -39.183
tors. eta vs tors. theta energy: -51.984
Dist. restrs. and SS energy: 6.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -1226.592538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.592538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.619588 (E_RNA)
where:
Base-Base interactions energy: -877.428
where: short stacking energy: -356.671
Base-Backbone interact. energy: -3.473
local terms energy: -348.719210
where:
bonds (distance) C4'-P energy: -69.749
bonds (distance) P-C4' energy: -67.347
flat angles C4'-P-C4' energy: -67.964
flat angles P-C4'-P energy: -51.241
tors. eta vs tors. theta energy: -92.417
Dist. restrs. and SS energy: 3.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -1200.900659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.900659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.909398 (E_RNA)
where:
Base-Base interactions energy: -846.847
where: short stacking energy: -339.045
Base-Backbone interact. energy: -4.078
local terms energy: -352.984125
where:
bonds (distance) C4'-P energy: -60.200
bonds (distance) P-C4' energy: -72.354
flat angles C4'-P-C4' energy: -67.890
flat angles P-C4'-P energy: -55.837
tors. eta vs tors. theta energy: -96.703
Dist. restrs. and SS energy: 3.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -1156.598044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.598044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.261655 (E_RNA)
where:
Base-Base interactions energy: -813.913
where: short stacking energy: -332.661
Base-Backbone interact. energy: -2.739
local terms energy: -343.609897
where:
bonds (distance) C4'-P energy: -67.848
bonds (distance) P-C4' energy: -65.135
flat angles C4'-P-C4' energy: -74.525
flat angles P-C4'-P energy: -43.073
tors. eta vs tors. theta energy: -93.028
Dist. restrs. and SS energy: 3.664 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -1097.224570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.224570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.667900 (E_RNA)
where:
Base-Base interactions energy: -776.187
where: short stacking energy: -318.437
Base-Backbone interact. energy: -0.670
local terms energy: -324.810464
where:
bonds (distance) C4'-P energy: -53.972
bonds (distance) P-C4' energy: -67.521
flat angles C4'-P-C4' energy: -73.514
flat angles P-C4'-P energy: -44.630
tors. eta vs tors. theta energy: -85.173
Dist. restrs. and SS energy: 4.443 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -1060.167161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.167161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.100346 (E_RNA)
where:
Base-Base interactions energy: -723.147
where: short stacking energy: -299.162
Base-Backbone interact. energy: -2.415
local terms energy: -338.537764
where:
bonds (distance) C4'-P energy: -68.074
bonds (distance) P-C4' energy: -73.745
flat angles C4'-P-C4' energy: -64.739
flat angles P-C4'-P energy: -51.540
tors. eta vs tors. theta energy: -80.439
Dist. restrs. and SS energy: 3.933 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -1025.527116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.527116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.633149 (E_RNA)
where:
Base-Base interactions energy: -711.691
where: short stacking energy: -301.371
Base-Backbone interact. energy: -0.107
local terms energy: -316.835990
where:
bonds (distance) C4'-P energy: -65.584
bonds (distance) P-C4' energy: -59.932
flat angles C4'-P-C4' energy: -62.475
flat angles P-C4'-P energy: -49.365
tors. eta vs tors. theta energy: -79.479
Dist. restrs. and SS energy: 3.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -989.566635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.566635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.676817 (E_RNA)
where:
Base-Base interactions energy: -685.872
where: short stacking energy: -278.385
Base-Backbone interact. energy: -0.290
local terms energy: -307.514107
where:
bonds (distance) C4'-P energy: -62.385
bonds (distance) P-C4' energy: -61.331
flat angles C4'-P-C4' energy: -63.593
flat angles P-C4'-P energy: -40.986
tors. eta vs tors. theta energy: -79.219
Dist. restrs. and SS energy: 4.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -891.739258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.739258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.286704 (E_RNA)
where:
Base-Base interactions energy: -616.038
where: short stacking energy: -239.455
Base-Backbone interact. energy: 0.181
local terms energy: -280.429584
where:
bonds (distance) C4'-P energy: -65.144
bonds (distance) P-C4' energy: -65.126
flat angles C4'-P-C4' energy: -65.761
flat angles P-C4'-P energy: -34.864
tors. eta vs tors. theta energy: -49.534
Dist. restrs. and SS energy: 4.547 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -864.579679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.579679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.476404 (E_RNA)
where:
Base-Base interactions energy: -624.111
where: short stacking energy: -255.993
Base-Backbone interact. energy: 1.293
local terms energy: -247.658700
where:
bonds (distance) C4'-P energy: -50.686
bonds (distance) P-C4' energy: -51.403
flat angles C4'-P-C4' energy: -46.836
flat angles P-C4'-P energy: -41.005
tors. eta vs tors. theta energy: -57.728
Dist. restrs. and SS energy: 5.897 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -865.308558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.308558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.865209 (E_RNA)
where:
Base-Base interactions energy: -616.218
where: short stacking energy: -257.775
Base-Backbone interact. energy: 2.696
local terms energy: -260.343434
where:
bonds (distance) C4'-P energy: -50.491
bonds (distance) P-C4' energy: -55.152
flat angles C4'-P-C4' energy: -57.801
flat angles P-C4'-P energy: -32.745
tors. eta vs tors. theta energy: -64.154
Dist. restrs. and SS energy: 8.557 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -1220.909005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.909005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.165537 (E_RNA)
where:
Base-Base interactions energy: -861.459
where: short stacking energy: -354.000
Base-Backbone interact. energy: -2.552
local terms energy: -360.154381
where:
bonds (distance) C4'-P energy: -67.511
bonds (distance) P-C4' energy: -69.706
flat angles C4'-P-C4' energy: -74.680
flat angles P-C4'-P energy: -52.139
tors. eta vs tors. theta energy: -96.119
Dist. restrs. and SS energy: 3.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -1202.699132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.699132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.197855 (E_RNA)
where:
Base-Base interactions energy: -839.891
where: short stacking energy: -335.763
Base-Backbone interact. energy: -0.120
local terms energy: -366.186672
where:
bonds (distance) C4'-P energy: -65.522
bonds (distance) P-C4' energy: -75.248
flat angles C4'-P-C4' energy: -70.541
flat angles P-C4'-P energy: -56.184
tors. eta vs tors. theta energy: -98.691
Dist. restrs. and SS energy: 3.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -1165.585533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.585533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.715435 (E_RNA)
where:
Base-Base interactions energy: -827.289
where: short stacking energy: -329.546
Base-Backbone interact. energy: -2.018
local terms energy: -339.408159
where:
bonds (distance) C4'-P energy: -61.387
bonds (distance) P-C4' energy: -58.875
flat angles C4'-P-C4' energy: -78.078
flat angles P-C4'-P energy: -44.017
tors. eta vs tors. theta energy: -97.051
Dist. restrs. and SS energy: 3.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -1099.450434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.450434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.454839 (E_RNA)
where:
Base-Base interactions energy: -755.073
where: short stacking energy: -319.525
Base-Backbone interact. energy: -2.254
local terms energy: -345.126952
where:
bonds (distance) C4'-P energy: -64.890
bonds (distance) P-C4' energy: -64.372
flat angles C4'-P-C4' energy: -73.625
flat angles P-C4'-P energy: -51.183
tors. eta vs tors. theta energy: -91.057
Dist. restrs. and SS energy: 3.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -1064.435760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.435760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.310549 (E_RNA)
where:
Base-Base interactions energy: -751.576
where: short stacking energy: -308.033
Base-Backbone interact. energy: -2.164
local terms energy: -314.570571
where:
bonds (distance) C4'-P energy: -54.291
bonds (distance) P-C4' energy: -61.371
flat angles C4'-P-C4' energy: -71.030
flat angles P-C4'-P energy: -45.862
tors. eta vs tors. theta energy: -82.017
Dist. restrs. and SS energy: 3.875 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -983.497608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.497608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.978531 (E_RNA)
where:
Base-Base interactions energy: -664.622
where: short stacking energy: -265.108
Base-Backbone interact. energy: -1.717
local terms energy: -323.639521
where:
bonds (distance) C4'-P energy: -60.241
bonds (distance) P-C4' energy: -67.304
flat angles C4'-P-C4' energy: -73.523
flat angles P-C4'-P energy: -51.956
tors. eta vs tors. theta energy: -70.616
Dist. restrs. and SS energy: 6.481 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -1020.214241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.214241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.282862 (E_RNA)
where:
Base-Base interactions energy: -720.564
where: short stacking energy: -319.541
Base-Backbone interact. energy: 1.967
local terms energy: -305.685144
where:
bonds (distance) C4'-P energy: -50.128
bonds (distance) P-C4' energy: -54.346
flat angles C4'-P-C4' energy: -72.674
flat angles P-C4'-P energy: -46.153
tors. eta vs tors. theta energy: -82.383
Dist. restrs. and SS energy: 4.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -948.669717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.669717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.363527 (E_RNA)
where:
Base-Base interactions energy: -662.568
where: short stacking energy: -271.988
Base-Backbone interact. energy: -3.489
local terms energy: -288.306228
where:
bonds (distance) C4'-P energy: -57.320
bonds (distance) P-C4' energy: -64.914
flat angles C4'-P-C4' energy: -53.937
flat angles P-C4'-P energy: -37.236
tors. eta vs tors. theta energy: -74.899
Dist. restrs. and SS energy: 5.694 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -857.624930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.624930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.332623 (E_RNA)
where:
Base-Base interactions energy: -599.600
where: short stacking energy: -235.371
Base-Backbone interact. energy: 0.673
local terms energy: -262.405430
where:
bonds (distance) C4'-P energy: -46.447
bonds (distance) P-C4' energy: -63.410
flat angles C4'-P-C4' energy: -63.326
flat angles P-C4'-P energy: -41.124
tors. eta vs tors. theta energy: -48.099
Dist. restrs. and SS energy: 3.708 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -864.378528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.378528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.725111 (E_RNA)
where:
Base-Base interactions energy: -603.136
where: short stacking energy: -238.062
Base-Backbone interact. energy: -1.816
local terms energy: -265.772892
where:
bonds (distance) C4'-P energy: -55.610
bonds (distance) P-C4' energy: -50.798
flat angles C4'-P-C4' energy: -58.456
flat angles P-C4'-P energy: -33.681
tors. eta vs tors. theta energy: -67.228
Dist. restrs. and SS energy: 6.347 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -1217.593849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.593849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.042225 (E_RNA)
where:
Base-Base interactions energy: -860.750
where: short stacking energy: -355.221
Base-Backbone interact. energy: -2.950
local terms energy: -357.342629
where:
bonds (distance) C4'-P energy: -69.021
bonds (distance) P-C4' energy: -65.192
flat angles C4'-P-C4' energy: -79.197
flat angles P-C4'-P energy: -44.237
tors. eta vs tors. theta energy: -99.695
Dist. restrs. and SS energy: 3.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -1193.995262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.995262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.615703 (E_RNA)
where:
Base-Base interactions energy: -833.422
where: short stacking energy: -341.770
Base-Backbone interact. energy: -4.407
local terms energy: -358.786655
where:
bonds (distance) C4'-P energy: -58.976
bonds (distance) P-C4' energy: -63.965
flat angles C4'-P-C4' energy: -81.533
flat angles P-C4'-P energy: -53.714
tors. eta vs tors. theta energy: -100.599
Dist. restrs. and SS energy: 2.620 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -1127.116961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.116961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.542911 (E_RNA)
where:
Base-Base interactions energy: -770.606
where: short stacking energy: -325.256
Base-Backbone interact. energy: -2.751
local terms energy: -357.185709
where:
bonds (distance) C4'-P energy: -73.010
bonds (distance) P-C4' energy: -70.291
flat angles C4'-P-C4' energy: -73.345
flat angles P-C4'-P energy: -51.064
tors. eta vs tors. theta energy: -89.477
Dist. restrs. and SS energy: 3.426 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -1119.222955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.222955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.511111 (E_RNA)
where:
Base-Base interactions energy: -779.853
where: short stacking energy: -336.005
Base-Backbone interact. energy: -2.128
local terms energy: -343.529673
where:
bonds (distance) C4'-P energy: -63.831
bonds (distance) P-C4' energy: -61.404
flat angles C4'-P-C4' energy: -77.604
flat angles P-C4'-P energy: -50.624
tors. eta vs tors. theta energy: -90.068
Dist. restrs. and SS energy: 6.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -1051.309004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.309004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.096460 (E_RNA)
where:
Base-Base interactions energy: -714.478
where: short stacking energy: -285.291
Base-Backbone interact. energy: 0.172
local terms energy: -341.791150
where:
bonds (distance) C4'-P energy: -72.634
bonds (distance) P-C4' energy: -64.814
flat angles C4'-P-C4' energy: -72.555
flat angles P-C4'-P energy: -55.258
tors. eta vs tors. theta energy: -76.529
Dist. restrs. and SS energy: 4.787 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -979.986219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.986219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.377635 (E_RNA)
where:
Base-Base interactions energy: -678.562
where: short stacking energy: -275.013
Base-Backbone interact. energy: -3.534
local terms energy: -304.280776
where:
bonds (distance) C4'-P energy: -53.604
bonds (distance) P-C4' energy: -64.559
flat angles C4'-P-C4' energy: -65.340
flat angles P-C4'-P energy: -46.602
tors. eta vs tors. theta energy: -74.176
Dist. restrs. and SS energy: 6.391 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -968.033084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.033084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.331081 (E_RNA)
where:
Base-Base interactions energy: -668.639
where: short stacking energy: -272.677
Base-Backbone interact. energy: -1.843
local terms energy: -300.849085
where:
bonds (distance) C4'-P energy: -62.866
bonds (distance) P-C4' energy: -50.145
flat angles C4'-P-C4' energy: -72.328
flat angles P-C4'-P energy: -43.478
tors. eta vs tors. theta energy: -72.033
Dist. restrs. and SS energy: 3.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -896.359937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.359937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.233555 (E_RNA)
where:
Base-Base interactions energy: -647.136
where: short stacking energy: -262.880
Base-Backbone interact. energy: 1.952
local terms energy: -254.049133
where:
bonds (distance) C4'-P energy: -60.151
bonds (distance) P-C4' energy: -46.536
flat angles C4'-P-C4' energy: -55.326
flat angles P-C4'-P energy: -28.635
tors. eta vs tors. theta energy: -63.402
Dist. restrs. and SS energy: 2.874 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -865.785006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.785006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.996790 (E_RNA)
where:
Base-Base interactions energy: -620.807
where: short stacking energy: -234.824
Base-Backbone interact. energy: 0.885
local terms energy: -251.074228
where:
bonds (distance) C4'-P energy: -53.341
bonds (distance) P-C4' energy: -49.458
flat angles C4'-P-C4' energy: -55.893
flat angles P-C4'-P energy: -31.943
tors. eta vs tors. theta energy: -60.439
Dist. restrs. and SS energy: 5.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -836.379123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.379123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.210147 (E_RNA)
where:
Base-Base interactions energy: -607.955
where: short stacking energy: -250.947
Base-Backbone interact. energy: -1.049
local terms energy: -237.206333
where:
bonds (distance) C4'-P energy: -46.419
bonds (distance) P-C4' energy: -43.822
flat angles C4'-P-C4' energy: -48.949
flat angles P-C4'-P energy: -38.868
tors. eta vs tors. theta energy: -59.149
Dist. restrs. and SS energy: 9.831 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -1206.574644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.574644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.536379 (E_RNA)
where:
Base-Base interactions energy: -854.696
where: short stacking energy: -342.163
Base-Backbone interact. energy: -1.509
local terms energy: -353.331605
where:
bonds (distance) C4'-P energy: -71.654
bonds (distance) P-C4' energy: -66.789
flat angles C4'-P-C4' energy: -75.505
flat angles P-C4'-P energy: -42.737
tors. eta vs tors. theta energy: -96.647
Dist. restrs. and SS energy: 2.962 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -1194.742159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.742159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.537062 (E_RNA)
where:
Base-Base interactions energy: -828.378
where: short stacking energy: -350.393
Base-Backbone interact. energy: 1.414
local terms energy: -370.572533
where:
bonds (distance) C4'-P energy: -67.002
bonds (distance) P-C4' energy: -73.899
flat angles C4'-P-C4' energy: -73.719
flat angles P-C4'-P energy: -54.779
tors. eta vs tors. theta energy: -101.173
Dist. restrs. and SS energy: 2.795 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -1125.033008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.033008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.502632 (E_RNA)
where:
Base-Base interactions energy: -797.013
where: short stacking energy: -322.625
Base-Backbone interact. energy: -0.575
local terms energy: -330.914467
where:
bonds (distance) C4'-P energy: -61.275
bonds (distance) P-C4' energy: -67.530
flat angles C4'-P-C4' energy: -60.156
flat angles P-C4'-P energy: -51.267
tors. eta vs tors. theta energy: -90.688
Dist. restrs. and SS energy: 3.470 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -1069.617380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.617380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.129135 (E_RNA)
where:
Base-Base interactions energy: -746.750
where: short stacking energy: -308.595
Base-Backbone interact. energy: -0.104
local terms energy: -326.274574
where:
bonds (distance) C4'-P energy: -55.206
bonds (distance) P-C4' energy: -69.737
flat angles C4'-P-C4' energy: -69.145
flat angles P-C4'-P energy: -40.746
tors. eta vs tors. theta energy: -91.440
Dist. restrs. and SS energy: 3.512 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -1052.505660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.505660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.942580 (E_RNA)
where:
Base-Base interactions energy: -731.487
where: short stacking energy: -304.362
Base-Backbone interact. energy: -1.810
local terms energy: -323.645365
where:
bonds (distance) C4'-P energy: -51.474
bonds (distance) P-C4' energy: -70.545
flat angles C4'-P-C4' energy: -67.523
flat angles P-C4'-P energy: -46.182
tors. eta vs tors. theta energy: -87.922
Dist. restrs. and SS energy: 4.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -973.092474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.092474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.260161 (E_RNA)
where:
Base-Base interactions energy: -685.034
where: short stacking energy: -263.758
Base-Backbone interact. energy: 4.995
local terms energy: -296.220631
where:
bonds (distance) C4'-P energy: -55.749
bonds (distance) P-C4' energy: -72.681
flat angles C4'-P-C4' energy: -61.616
flat angles P-C4'-P energy: -39.425
tors. eta vs tors. theta energy: -66.749
Dist. restrs. and SS energy: 3.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -958.736967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.736967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.844696 (E_RNA)
where:
Base-Base interactions energy: -679.644
where: short stacking energy: -283.868
Base-Backbone interact. energy: -0.114
local terms energy: -285.086524
where:
bonds (distance) C4'-P energy: -42.741
bonds (distance) P-C4' energy: -56.214
flat angles C4'-P-C4' energy: -54.126
flat angles P-C4'-P energy: -48.114
tors. eta vs tors. theta energy: -83.891
Dist. restrs. and SS energy: 6.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -894.813221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.813221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.070923 (E_RNA)
where:
Base-Base interactions energy: -630.344
where: short stacking energy: -238.451
Base-Backbone interact. energy: -4.681
local terms energy: -265.046442
where:
bonds (distance) C4'-P energy: -55.075
bonds (distance) P-C4' energy: -62.077
flat angles C4'-P-C4' energy: -58.931
flat angles P-C4'-P energy: -37.386
tors. eta vs tors. theta energy: -51.578
Dist. restrs. and SS energy: 5.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -860.638184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.638184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.141704 (E_RNA)
where:
Base-Base interactions energy: -590.087
where: short stacking energy: -227.053
Base-Backbone interact. energy: 1.585
local terms energy: -277.639475
where:
bonds (distance) C4'-P energy: -54.446
bonds (distance) P-C4' energy: -55.214
flat angles C4'-P-C4' energy: -74.633
flat angles P-C4'-P energy: -39.581
tors. eta vs tors. theta energy: -53.765
Dist. restrs. and SS energy: 5.504 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -846.413830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.413830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.216209 (E_RNA)
where:
Base-Base interactions energy: -597.986
where: short stacking energy: -239.745
Base-Backbone interact. energy: -2.246
local terms energy: -254.984648
where:
bonds (distance) C4'-P energy: -58.039
bonds (distance) P-C4' energy: -51.928
flat angles C4'-P-C4' energy: -58.875
flat angles P-C4'-P energy: -27.114
tors. eta vs tors. theta energy: -59.028
Dist. restrs. and SS energy: 8.802 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -1227.193210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.193210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.493650 (E_RNA)
where:
Base-Base interactions energy: -863.879
where: short stacking energy: -338.833
Base-Backbone interact. energy: -0.877
local terms energy: -365.736660
where:
bonds (distance) C4'-P energy: -62.283
bonds (distance) P-C4' energy: -71.537
flat angles C4'-P-C4' energy: -79.473
flat angles P-C4'-P energy: -50.741
tors. eta vs tors. theta energy: -101.702
Dist. restrs. and SS energy: 3.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -1166.259143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.259143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.139850 (E_RNA)
where:
Base-Base interactions energy: -839.909
where: short stacking energy: -337.503
Base-Backbone interact. energy: -1.512
local terms energy: -327.719584
where:
bonds (distance) C4'-P energy: -61.731
bonds (distance) P-C4' energy: -54.885
flat angles C4'-P-C4' energy: -75.342
flat angles P-C4'-P energy: -48.343
tors. eta vs tors. theta energy: -87.418
Dist. restrs. and SS energy: 2.881 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -1121.509512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.509512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.436335 (E_RNA)
where:
Base-Base interactions energy: -784.970
where: short stacking energy: -322.765
Base-Backbone interact. energy: 0.097
local terms energy: -339.563292
where:
bonds (distance) C4'-P energy: -64.603
bonds (distance) P-C4' energy: -65.757
flat angles C4'-P-C4' energy: -70.297
flat angles P-C4'-P energy: -44.405
tors. eta vs tors. theta energy: -94.501
Dist. restrs. and SS energy: 2.927 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -1085.496909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.496909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.870525 (E_RNA)
where:
Base-Base interactions energy: -746.196
where: short stacking energy: -287.391
Base-Backbone interact. energy: -1.154
local terms energy: -340.520929
where:
bonds (distance) C4'-P energy: -69.523
bonds (distance) P-C4' energy: -68.572
flat angles C4'-P-C4' energy: -70.695
flat angles P-C4'-P energy: -47.575
tors. eta vs tors. theta energy: -84.156
Dist. restrs. and SS energy: 2.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -1079.484972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.484972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.366405 (E_RNA)
where:
Base-Base interactions energy: -759.953
where: short stacking energy: -311.191
Base-Backbone interact. energy: -2.204
local terms energy: -320.208895
where:
bonds (distance) C4'-P energy: -63.895
bonds (distance) P-C4' energy: -59.345
flat angles C4'-P-C4' energy: -70.026
flat angles P-C4'-P energy: -43.796
tors. eta vs tors. theta energy: -83.147
Dist. restrs. and SS energy: 2.881 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -969.102183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.102183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.292442 (E_RNA)
where:
Base-Base interactions energy: -680.443
where: short stacking energy: -281.649
Base-Backbone interact. energy: 1.860
local terms energy: -296.709278
where:
bonds (distance) C4'-P energy: -65.377
bonds (distance) P-C4' energy: -62.581
flat angles C4'-P-C4' energy: -74.612
flat angles P-C4'-P energy: -31.167
tors. eta vs tors. theta energy: -62.972
Dist. restrs. and SS energy: 6.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -950.071178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.071178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.950200 (E_RNA)
where:
Base-Base interactions energy: -672.254
where: short stacking energy: -285.826
Base-Backbone interact. energy: 0.177
local terms energy: -284.873610
where:
bonds (distance) C4'-P energy: -64.524
bonds (distance) P-C4' energy: -58.626
flat angles C4'-P-C4' energy: -58.663
flat angles P-C4'-P energy: -34.542
tors. eta vs tors. theta energy: -68.518
Dist. restrs. and SS energy: 6.879 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -884.807788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.807788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.357264 (E_RNA)
where:
Base-Base interactions energy: -627.433
where: short stacking energy: -244.377
Base-Backbone interact. energy: -2.458
local terms energy: -259.465884
where:
bonds (distance) C4'-P energy: -53.760
bonds (distance) P-C4' energy: -63.771
flat angles C4'-P-C4' energy: -63.175
flat angles P-C4'-P energy: -32.277
tors. eta vs tors. theta energy: -46.483
Dist. restrs. and SS energy: 4.549 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -898.737536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.737536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.662004 (E_RNA)
where:
Base-Base interactions energy: -614.567
where: short stacking energy: -252.715
Base-Backbone interact. energy: -1.460
local terms energy: -290.635405
where:
bonds (distance) C4'-P energy: -58.814
bonds (distance) P-C4' energy: -66.815
flat angles C4'-P-C4' energy: -65.314
flat angles P-C4'-P energy: -32.842
tors. eta vs tors. theta energy: -66.850
Dist. restrs. and SS energy: 7.924 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -804.841848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.841848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.714572 (E_RNA)
where:
Base-Base interactions energy: -558.611
where: short stacking energy: -213.424
Base-Backbone interact. energy: -0.840
local terms energy: -255.264202
where:
bonds (distance) C4'-P energy: -60.144
bonds (distance) P-C4' energy: -43.899
flat angles C4'-P-C4' energy: -64.471
flat angles P-C4'-P energy: -41.696
tors. eta vs tors. theta energy: -45.055
Dist. restrs. and SS energy: 9.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -1225.478517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.478517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.471378 (E_RNA)
where:
Base-Base interactions energy: -868.813
where: short stacking energy: -342.685
Base-Backbone interact. energy: -2.510
local terms energy: -357.148451
where:
bonds (distance) C4'-P energy: -65.148
bonds (distance) P-C4' energy: -71.667
flat angles C4'-P-C4' energy: -76.594
flat angles P-C4'-P energy: -49.293
tors. eta vs tors. theta energy: -94.447
Dist. restrs. and SS energy: 2.993 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -1169.721986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.721986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.837727 (E_RNA)
where:
Base-Base interactions energy: -820.252
where: short stacking energy: -338.173
Base-Backbone interact. energy: -1.402
local terms energy: -353.183700
where:
bonds (distance) C4'-P energy: -65.353
bonds (distance) P-C4' energy: -67.701
flat angles C4'-P-C4' energy: -78.367
flat angles P-C4'-P energy: -54.416
tors. eta vs tors. theta energy: -87.347
Dist. restrs. and SS energy: 5.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -1147.535522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.535522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.007467 (E_RNA)
where:
Base-Base interactions energy: -792.022
where: short stacking energy: -322.191
Base-Backbone interact. energy: -0.591
local terms energy: -358.394957
where:
bonds (distance) C4'-P energy: -64.639
bonds (distance) P-C4' energy: -71.764
flat angles C4'-P-C4' energy: -76.501
flat angles P-C4'-P energy: -54.952
tors. eta vs tors. theta energy: -90.539
Dist. restrs. and SS energy: 3.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -1098.603115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.603115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.109248 (E_RNA)
where:
Base-Base interactions energy: -759.591
where: short stacking energy: -302.029
Base-Backbone interact. energy: -0.947
local terms energy: -342.571275
where:
bonds (distance) C4'-P energy: -60.054
bonds (distance) P-C4' energy: -72.866
flat angles C4'-P-C4' energy: -73.891
flat angles P-C4'-P energy: -45.031
tors. eta vs tors. theta energy: -90.730
Dist. restrs. and SS energy: 4.506 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -1064.067490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.067490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.723877 (E_RNA)
where:
Base-Base interactions energy: -738.925
where: short stacking energy: -296.365
Base-Backbone interact. energy: -1.050
local terms energy: -327.749589
where:
bonds (distance) C4'-P energy: -63.172
bonds (distance) P-C4' energy: -61.960
flat angles C4'-P-C4' energy: -74.128
flat angles P-C4'-P energy: -40.997
tors. eta vs tors. theta energy: -87.493
Dist. restrs. and SS energy: 3.656 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -1008.217659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.217659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.762504 (E_RNA)
where:
Base-Base interactions energy: -713.287
where: short stacking energy: -307.192
Base-Backbone interact. energy: 0.629
local terms energy: -302.105444
where:
bonds (distance) C4'-P energy: -53.805
bonds (distance) P-C4' energy: -61.959
flat angles C4'-P-C4' energy: -64.527
flat angles P-C4'-P energy: -45.073
tors. eta vs tors. theta energy: -76.742
Dist. restrs. and SS energy: 6.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -944.292030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.292030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.366230 (E_RNA)
where:
Base-Base interactions energy: -648.356
where: short stacking energy: -266.260
Base-Backbone interact. energy: -3.868
local terms energy: -300.141265
where:
bonds (distance) C4'-P energy: -65.402
bonds (distance) P-C4' energy: -63.223
flat angles C4'-P-C4' energy: -61.777
flat angles P-C4'-P energy: -39.048
tors. eta vs tors. theta energy: -70.692
Dist. restrs. and SS energy: 8.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -893.713769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.713769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.898014 (E_RNA)
where:
Base-Base interactions energy: -632.122
where: short stacking energy: -252.539
Base-Backbone interact. energy: -0.468
local terms energy: -270.308342
where:
bonds (distance) C4'-P energy: -49.139
bonds (distance) P-C4' energy: -58.901
flat angles C4'-P-C4' energy: -61.529
flat angles P-C4'-P energy: -37.785
tors. eta vs tors. theta energy: -62.954
Dist. restrs. and SS energy: 9.184 (S_DIST_RNA)
chem. 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: -864.072381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.072381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.791565 (E_RNA)
where:
Base-Base interactions energy: -629.562
where: short stacking energy: -249.309
Base-Backbone interact. energy: 3.449
local terms energy: -241.678811
where:
bonds (distance) C4'-P energy: -46.024
bonds (distance) P-C4' energy: -38.759
flat angles C4'-P-C4' energy: -62.516
flat angles P-C4'-P energy: -37.786
tors. eta vs tors. theta energy: -56.595
Dist. restrs. and SS energy: 3.719 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -805.085099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.085099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.997429 (E_RNA)
where:
Base-Base interactions energy: -567.552
where: short stacking energy: -218.440
Base-Backbone interact. energy: -1.730
local terms energy: -242.715628
where:
bonds (distance) C4'-P energy: -38.987
bonds (distance) P-C4' energy: -53.399
flat angles C4'-P-C4' energy: -60.159
flat angles P-C4'-P energy: -41.070
tors. eta vs tors. theta energy: -49.100
Dist. restrs. and SS energy: 6.912 (S_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: 306
Temperature: 0.900000
Total energy: -1224.361409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.361409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.244656 (E_RNA)
where:
Base-Base interactions energy: -863.927
where: short stacking energy: -348.265
Base-Backbone interact. energy: -2.581
local terms energy: -360.736753
where:
bonds (distance) C4'-P energy: -60.723
bonds (distance) P-C4' energy: -63.941
flat angles C4'-P-C4' energy: -78.957
flat angles P-C4'-P energy: -55.428
tors. eta vs tors. theta energy: -101.688
Dist. restrs. and SS energy: 2.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -1167.836864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.836864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.061636 (E_RNA)
where:
Base-Base interactions energy: -827.498
where: short stacking energy: -325.192
Base-Backbone interact. energy: -2.273
local terms energy: -341.290735
where:
bonds (distance) C4'-P energy: -75.180
bonds (distance) P-C4' energy: -62.186
flat angles C4'-P-C4' energy: -71.520
flat angles P-C4'-P energy: -44.728
tors. eta vs tors. theta energy: -87.676
Dist. restrs. and SS energy: 3.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -1154.015961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.015961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.284628 (E_RNA)
where:
Base-Base interactions energy: -815.141
where: short stacking energy: -341.748
Base-Backbone interact. energy: -0.947
local terms energy: -341.196155
where:
bonds (distance) C4'-P energy: -60.953
bonds (distance) P-C4' energy: -63.806
flat angles C4'-P-C4' energy: -76.628
flat angles P-C4'-P energy: -46.600
tors. eta vs tors. theta energy: -93.209
Dist. restrs. and SS energy: 3.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -1107.427681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.427681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.423442 (E_RNA)
where:
Base-Base interactions energy: -772.221
where: short stacking energy: -303.326
Base-Backbone interact. energy: -1.173
local terms energy: -337.028987
where:
bonds (distance) C4'-P energy: -56.946
bonds (distance) P-C4' energy: -63.091
flat angles C4'-P-C4' energy: -75.260
flat angles P-C4'-P energy: -51.181
tors. eta vs tors. theta energy: -90.552
Dist. restrs. and SS energy: 2.996 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -1026.028234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.028234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.275820 (E_RNA)
where:
Base-Base interactions energy: -704.305
where: short stacking energy: -290.311
Base-Backbone interact. energy: -1.289
local terms energy: -328.682212
where:
bonds (distance) C4'-P energy: -66.342
bonds (distance) P-C4' energy: -66.293
flat angles C4'-P-C4' energy: -69.090
flat angles P-C4'-P energy: -45.735
tors. eta vs tors. theta energy: -81.221
Dist. restrs. and SS energy: 8.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -1039.460452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.460452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.327356 (E_RNA)
where:
Base-Base interactions energy: -715.603
where: short stacking energy: -290.188
Base-Backbone interact. energy: -0.862
local terms energy: -327.862664
where:
bonds (distance) C4'-P energy: -62.756
bonds (distance) P-C4' energy: -69.743
flat angles C4'-P-C4' energy: -66.773
flat angles P-C4'-P energy: -45.427
tors. eta vs tors. theta energy: -83.164
Dist. restrs. and SS energy: 4.867 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -937.679304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.679304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.911809 (E_RNA)
where:
Base-Base interactions energy: -656.774
where: short stacking energy: -247.002
Base-Backbone interact. energy: -0.703
local terms energy: -283.435050
where:
bonds (distance) C4'-P energy: -57.425
bonds (distance) P-C4' energy: -62.373
flat angles C4'-P-C4' energy: -63.074
flat angles P-C4'-P energy: -41.374
tors. eta vs tors. theta energy: -59.188
Dist. restrs. and SS energy: 3.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -898.295638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.295638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.168651 (E_RNA)
where:
Base-Base interactions energy: -641.731
where: short stacking energy: -235.811
Base-Backbone interact. energy: 0.015
local terms energy: -261.452761
where:
bonds (distance) C4'-P energy: -55.472
bonds (distance) P-C4' energy: -58.156
flat angles C4'-P-C4' energy: -58.418
flat angles P-C4'-P energy: -37.932
tors. eta vs tors. theta energy: -51.475
Dist. restrs. and SS energy: 4.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -853.028563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.028563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.243388 (E_RNA)
where:
Base-Base interactions energy: -589.488
where: short stacking energy: -237.172
Base-Backbone interact. energy: -0.432
local terms energy: -273.323638
where:
bonds (distance) C4'-P energy: -55.633
bonds (distance) P-C4' energy: -54.818
flat angles C4'-P-C4' energy: -64.345
flat angles P-C4'-P energy: -45.604
tors. eta vs tors. theta energy: -52.924
Dist. restrs. and SS energy: 10.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -847.088415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.088415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.644866 (E_RNA)
where:
Base-Base interactions energy: -618.940
where: short stacking energy: -244.755
Base-Backbone interact. energy: -0.275
local terms energy: -234.429980
where:
bonds (distance) C4'-P energy: -56.030
bonds (distance) P-C4' energy: -52.279
flat angles C4'-P-C4' energy: -51.808
flat angles P-C4'-P energy: -27.023
tors. eta vs tors. theta energy: -47.290
Dist. restrs. and SS energy: 6.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -1218.477180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.477180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.609104 (E_RNA)
where:
Base-Base interactions energy: -853.293
where: short stacking energy: -332.129
Base-Backbone interact. energy: -0.350
local terms energy: -367.966593
where:
bonds (distance) C4'-P energy: -72.124
bonds (distance) P-C4' energy: -73.445
flat angles C4'-P-C4' energy: -76.917
flat angles P-C4'-P energy: -48.756
tors. eta vs tors. theta energy: -96.725
Dist. restrs. and SS energy: 3.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -1177.733168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.733168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.708843 (E_RNA)
where:
Base-Base interactions energy: -824.600
where: short stacking energy: -331.301
Base-Backbone interact. energy: -0.743
local terms energy: -355.365454
where:
bonds (distance) C4'-P energy: -67.915
bonds (distance) P-C4' energy: -70.858
flat angles C4'-P-C4' energy: -67.445
flat angles P-C4'-P energy: -52.053
tors. eta vs tors. theta energy: -97.094
Dist. restrs. and SS energy: 2.976 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -1142.839308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.839308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.085329 (E_RNA)
where:
Base-Base interactions energy: -815.660
where: short stacking energy: -322.899
Base-Backbone interact. energy: 0.731
local terms energy: -332.157284
where:
bonds (distance) C4'-P energy: -53.018
bonds (distance) P-C4' energy: -73.965
flat angles C4'-P-C4' energy: -73.925
flat angles P-C4'-P energy: -48.660
tors. eta vs tors. theta energy: -82.590
Dist. restrs. and SS energy: 4.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -1055.742024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.742024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.178867 (E_RNA)
where:
Base-Base interactions energy: -746.602
where: short stacking energy: -288.946
Base-Backbone interact. energy: -2.478
local terms energy: -313.098717
where:
bonds (distance) C4'-P energy: -64.387
bonds (distance) P-C4' energy: -61.849
flat angles C4'-P-C4' energy: -67.168
flat angles P-C4'-P energy: -36.471
tors. eta vs tors. theta energy: -83.224
Dist. restrs. and SS energy: 6.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -1037.493085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.493085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.451878 (E_RNA)
where:
Base-Base interactions energy: -743.723
where: short stacking energy: -291.420
Base-Backbone interact. energy: 8.877
local terms energy: -305.605473
where:
bonds (distance) C4'-P energy: -59.419
bonds (distance) P-C4' energy: -58.106
flat angles C4'-P-C4' energy: -68.865
flat angles P-C4'-P energy: -43.739
tors. eta vs tors. theta energy: -75.477
Dist. restrs. and SS energy: 2.959 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -1019.785785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.785785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.140353 (E_RNA)
where:
Base-Base interactions energy: -706.525
where: short stacking energy: -286.024
Base-Backbone interact. energy: -1.998
local terms energy: -314.617519
where:
bonds (distance) C4'-P energy: -58.088
bonds (distance) P-C4' energy: -70.015
flat angles C4'-P-C4' energy: -66.477
flat angles P-C4'-P energy: -42.385
tors. eta vs tors. theta energy: -77.652
Dist. restrs. and SS energy: 3.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -924.584765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.584765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.672820 (E_RNA)
where:
Base-Base interactions energy: -635.672
where: short stacking energy: -262.721
Base-Backbone interact. energy: -0.516
local terms energy: -295.485237
where:
bonds (distance) C4'-P energy: -46.228
bonds (distance) P-C4' energy: -56.992
flat angles C4'-P-C4' energy: -76.999
flat angles P-C4'-P energy: -51.716
tors. eta vs tors. theta energy: -63.550
Dist. restrs. and SS energy: 7.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -904.923581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.923581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.629938 (E_RNA)
where:
Base-Base interactions energy: -640.746
where: short stacking energy: -260.686
Base-Backbone interact. energy: -1.222
local terms energy: -268.661630
where:
bonds (distance) C4'-P energy: -62.448
bonds (distance) P-C4' energy: -54.029
flat angles C4'-P-C4' energy: -59.321
flat angles P-C4'-P energy: -38.218
tors. eta vs tors. theta energy: -54.645
Dist. restrs. and SS energy: 5.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -842.597924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.597924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.414398 (E_RNA)
where:
Base-Base interactions energy: -615.236
where: short stacking energy: -229.529
Base-Backbone interact. energy: 1.287
local terms energy: -235.465544
where:
bonds (distance) C4'-P energy: -35.937
bonds (distance) P-C4' energy: -60.558
flat angles C4'-P-C4' energy: -58.520
flat angles P-C4'-P energy: -39.712
tors. eta vs tors. theta energy: -40.740
Dist. restrs. and SS energy: 6.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -840.157141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.157141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.454837 (E_RNA)
where:
Base-Base interactions energy: -590.961
where: short stacking energy: -221.863
Base-Backbone interact. energy: -1.056
local terms energy: -252.437316
where:
bonds (distance) C4'-P energy: -52.686
bonds (distance) P-C4' energy: -44.422
flat angles C4'-P-C4' energy: -58.482
flat angles P-C4'-P energy: -46.270
tors. eta vs tors. theta energy: -50.578
Dist. restrs. and SS energy: 4.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -1215.500576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.500576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.710591 (E_RNA)
where:
Base-Base interactions energy: -867.645
where: short stacking energy: -348.399
Base-Backbone interact. energy: -0.333
local terms energy: -350.732537
where:
bonds (distance) C4'-P energy: -67.086
bonds (distance) P-C4' energy: -63.042
flat angles C4'-P-C4' energy: -70.880
flat angles P-C4'-P energy: -51.275
tors. eta vs tors. theta energy: -98.450
Dist. restrs. and SS energy: 3.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -1166.986324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.986324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.582549 (E_RNA)
where:
Base-Base interactions energy: -829.834
where: short stacking energy: -336.739
Base-Backbone interact. energy: -0.673
local terms energy: -339.075581
where:
bonds (distance) C4'-P energy: -69.920
bonds (distance) P-C4' energy: -60.692
flat angles C4'-P-C4' energy: -75.491
flat angles P-C4'-P energy: -37.201
tors. eta vs tors. theta energy: -95.771
Dist. restrs. and SS energy: 2.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -1095.432227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.432227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.221258 (E_RNA)
where:
Base-Base interactions energy: -778.375
where: short stacking energy: -310.361
Base-Backbone interact. energy: -2.816
local terms energy: -318.030284
where:
bonds (distance) C4'-P energy: -60.986
bonds (distance) P-C4' energy: -72.006
flat angles C4'-P-C4' energy: -78.021
flat angles P-C4'-P energy: -32.658
tors. eta vs tors. theta energy: -74.360
Dist. restrs. and SS energy: 3.789 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -1030.671191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.671191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.400023 (E_RNA)
where:
Base-Base interactions energy: -712.299
where: short stacking energy: -304.762
Base-Backbone interact. energy: -2.833
local terms energy: -321.268812
where:
bonds (distance) C4'-P energy: -71.200
bonds (distance) P-C4' energy: -54.811
flat angles C4'-P-C4' energy: -73.717
flat angles P-C4'-P energy: -36.826
tors. eta vs tors. theta energy: -84.715
Dist. restrs. and SS energy: 5.729 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -1102.643464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.643464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.091062 (E_RNA)
where:
Base-Base interactions energy: -768.506
where: short stacking energy: -300.899
Base-Backbone interact. energy: 0.257
local terms energy: -337.841720
where:
bonds (distance) C4'-P energy: -55.052
bonds (distance) P-C4' energy: -65.791
flat angles C4'-P-C4' energy: -76.811
flat angles P-C4'-P energy: -47.253
tors. eta vs tors. theta energy: -92.934
Dist. restrs. and SS energy: 3.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -1016.397602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.397602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.532853 (E_RNA)
where:
Base-Base interactions energy: -708.144
where: short stacking energy: -283.784
Base-Backbone interact. energy: -3.008
local terms energy: -308.380613
where:
bonds (distance) C4'-P energy: -57.057
bonds (distance) P-C4' energy: -64.861
flat angles C4'-P-C4' energy: -62.045
flat angles P-C4'-P energy: -48.067
tors. eta vs tors. theta energy: -76.352
Dist. restrs. and SS energy: 3.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -952.404798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.404798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.744601 (E_RNA)
where:
Base-Base interactions energy: -664.362
where: short stacking energy: -257.836
Base-Backbone interact. energy: -1.227
local terms energy: -291.155891
where:
bonds (distance) C4'-P energy: -67.793
bonds (distance) P-C4' energy: -50.359
flat angles C4'-P-C4' energy: -73.069
flat angles P-C4'-P energy: -39.084
tors. eta vs tors. theta energy: -60.851
Dist. restrs. and SS energy: 4.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -913.815511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.815511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.235993 (E_RNA)
where:
Base-Base interactions energy: -643.353
where: short stacking energy: -254.893
Base-Backbone interact. energy: -2.639
local terms energy: -272.244476
where:
bonds (distance) C4'-P energy: -49.384
bonds (distance) P-C4' energy: -64.717
flat angles C4'-P-C4' energy: -61.027
flat angles P-C4'-P energy: -48.046
tors. eta vs tors. theta energy: -49.071
Dist. restrs. and SS energy: 4.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -891.179811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.179811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.682992 (E_RNA)
where:
Base-Base interactions energy: -622.156
where: short stacking energy: -237.501
Base-Backbone interact. energy: -1.396
local terms energy: -272.130658
where:
bonds (distance) C4'-P energy: -62.572
bonds (distance) P-C4' energy: -47.503
flat angles C4'-P-C4' energy: -63.393
flat angles P-C4'-P energy: -46.747
tors. eta vs tors. theta energy: -51.916
Dist. restrs. and SS energy: 4.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -853.921317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.921317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.932614 (E_RNA)
where:
Base-Base interactions energy: -633.122
where: short stacking energy: -254.130
Base-Backbone interact. energy: 3.218
local terms energy: -228.029059
where:
bonds (distance) C4'-P energy: -42.321
bonds (distance) P-C4' energy: -57.106
flat angles C4'-P-C4' energy: -49.252
flat angles P-C4'-P energy: -20.591
tors. eta vs tors. theta energy: -58.758
Dist. restrs. and SS energy: 4.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -1234.219310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.219310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.247661 (E_RNA)
where:
Base-Base interactions energy: -872.124
where: short stacking energy: -347.121
Base-Backbone interact. energy: -2.381
local terms energy: -362.742410
where:
bonds (distance) C4'-P energy: -56.193
bonds (distance) P-C4' energy: -67.938
flat angles C4'-P-C4' energy: -74.987
flat angles P-C4'-P energy: -56.113
tors. eta vs tors. theta energy: -107.512
Dist. restrs. and SS energy: 3.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -1140.680880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.680880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.869900 (E_RNA)
where:
Base-Base interactions energy: -801.937
where: short stacking energy: -318.718
Base-Backbone interact. energy: -5.639
local terms energy: -338.294224
where:
bonds (distance) C4'-P energy: -70.071
bonds (distance) P-C4' energy: -59.507
flat angles C4'-P-C4' energy: -73.284
flat angles P-C4'-P energy: -59.147
tors. eta vs tors. theta energy: -76.286
Dist. restrs. and SS energy: 5.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -1200.220859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.220859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.049140 (E_RNA)
where:
Base-Base interactions energy: -837.207
where: short stacking energy: -334.388
Base-Backbone interact. energy: -1.449
local terms energy: -364.393575
where:
bonds (distance) C4'-P energy: -73.136
bonds (distance) P-C4' energy: -69.033
flat angles C4'-P-C4' energy: -72.059
flat angles P-C4'-P energy: -55.287
tors. eta vs tors. theta energy: -94.880
Dist. restrs. and SS energy: 2.828 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -1082.927284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.927284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.263861 (E_RNA)
where:
Base-Base interactions energy: -743.340
where: short stacking energy: -310.481
Base-Backbone interact. energy: -4.224
local terms energy: -338.699985
where:
bonds (distance) C4'-P energy: -58.201
bonds (distance) P-C4' energy: -69.715
flat angles C4'-P-C4' energy: -66.468
flat angles P-C4'-P energy: -56.427
tors. eta vs tors. theta energy: -87.888
Dist. restrs. and SS energy: 3.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -1021.408285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.408285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.089407 (E_RNA)
where:
Base-Base interactions energy: -717.995
where: short stacking energy: -304.907
Base-Backbone interact. energy: 0.516
local terms energy: -311.610417
where:
bonds (distance) C4'-P energy: -58.943
bonds (distance) P-C4' energy: -59.741
flat angles C4'-P-C4' energy: -69.587
flat angles P-C4'-P energy: -42.934
tors. eta vs tors. theta energy: -80.406
Dist. restrs. and SS energy: 7.681 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -970.489528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.489528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.486869 (E_RNA)
where:
Base-Base interactions energy: -655.280
where: short stacking energy: -263.750
Base-Backbone interact. energy: -3.710
local terms energy: -315.496406
where:
bonds (distance) C4'-P energy: -74.047
bonds (distance) P-C4' energy: -62.573
flat angles C4'-P-C4' energy: -69.126
flat angles P-C4'-P energy: -47.978
tors. eta vs tors. theta energy: -61.772
Dist. restrs. and SS energy: 3.997 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -932.889208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.889208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.078761 (E_RNA)
where:
Base-Base interactions energy: -647.451
where: short stacking energy: -264.711
Base-Backbone interact. energy: 0.447
local terms energy: -295.075320
where:
bonds (distance) C4'-P energy: -59.128
bonds (distance) P-C4' energy: -58.361
flat angles C4'-P-C4' energy: -79.219
flat angles P-C4'-P energy: -44.027
tors. eta vs tors. theta energy: -54.340
Dist. restrs. and SS energy: 9.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -915.379032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.379032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.905347 (E_RNA)
where:
Base-Base interactions energy: -640.581
where: short stacking energy: -256.802
Base-Backbone interact. energy: -1.580
local terms energy: -276.744257
where:
bonds (distance) C4'-P energy: -47.656
bonds (distance) P-C4' energy: -60.368
flat angles C4'-P-C4' energy: -58.944
flat angles P-C4'-P energy: -41.687
tors. eta vs tors. theta energy: -68.089
Dist. restrs. and SS energy: 3.526 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -866.186838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.186838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.557726 (E_RNA)
where:
Base-Base interactions energy: -618.200
where: short stacking energy: -240.009
Base-Backbone interact. energy: -0.924
local terms energy: -256.434441
where:
bonds (distance) C4'-P energy: -50.515
bonds (distance) P-C4' energy: -59.170
flat angles C4'-P-C4' energy: -53.183
flat angles P-C4'-P energy: -36.967
tors. eta vs tors. theta energy: -56.599
Dist. restrs. and SS energy: 9.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -810.177339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.177339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.989448 (E_RNA)
where:
Base-Base interactions energy: -588.372
where: short stacking energy: -228.000
Base-Backbone interact. energy: -2.783
local terms energy: -225.834217
where:
bonds (distance) C4'-P energy: -42.950
bonds (distance) P-C4' energy: -40.661
flat angles C4'-P-C4' energy: -55.633
flat angles P-C4'-P energy: -31.833
tors. eta vs tors. theta energy: -54.757
Dist. restrs. and SS energy: 6.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -1225.369894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.369894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.513608 (E_RNA)
where:
Base-Base interactions energy: -874.489
where: short stacking energy: -348.088
Base-Backbone interact. energy: -0.608
local terms energy: -353.416385
where:
bonds (distance) C4'-P energy: -60.344
bonds (distance) P-C4' energy: -61.340
flat angles C4'-P-C4' energy: -77.690
flat angles P-C4'-P energy: -50.567
tors. eta vs tors. theta energy: -103.475
Dist. restrs. and SS energy: 3.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -1172.298513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.298513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.863693 (E_RNA)
where:
Base-Base interactions energy: -839.863
where: short stacking energy: -331.247
Base-Backbone interact. energy: -1.944
local terms energy: -334.056333
where:
bonds (distance) C4'-P energy: -62.389
bonds (distance) P-C4' energy: -64.422
flat angles C4'-P-C4' energy: -77.251
flat angles P-C4'-P energy: -48.182
tors. eta vs tors. theta energy: -81.812
Dist. restrs. and SS energy: 3.565 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -1167.101863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.101863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.970209 (E_RNA)
where:
Base-Base interactions energy: -816.638
where: short stacking energy: -338.450
Base-Backbone interact. energy: -2.511
local terms energy: -350.821167
where:
bonds (distance) C4'-P energy: -67.722
bonds (distance) P-C4' energy: -68.033
flat angles C4'-P-C4' energy: -70.936
flat angles P-C4'-P energy: -46.824
tors. eta vs tors. theta energy: -97.306
Dist. restrs. and SS energy: 2.868 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -1109.720432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.720432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.229583 (E_RNA)
where:
Base-Base interactions energy: -759.787
where: short stacking energy: -330.741
Base-Backbone interact. energy: -1.898
local terms energy: -352.544291
where:
bonds (distance) C4'-P energy: -66.998
bonds (distance) P-C4' energy: -59.099
flat angles C4'-P-C4' energy: -75.890
flat angles P-C4'-P energy: -58.400
tors. eta vs tors. theta energy: -92.157
Dist. restrs. and SS energy: 4.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -1044.343153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.343153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.242867 (E_RNA)
where:
Base-Base interactions energy: -734.977
where: short stacking energy: -301.508
Base-Backbone interact. energy: -0.912
local terms energy: -313.353827
where:
bonds (distance) C4'-P energy: -58.522
bonds (distance) P-C4' energy: -53.329
flat angles C4'-P-C4' energy: -71.122
flat angles P-C4'-P energy: -43.161
tors. eta vs tors. theta energy: -87.220
Dist. restrs. and SS energy: 4.900 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -1003.955994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.955994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.267310 (E_RNA)
where:
Base-Base interactions energy: -713.576
where: short stacking energy: -269.440
Base-Backbone interact. energy: -1.124
local terms energy: -295.567578
where:
bonds (distance) C4'-P energy: -56.570
bonds (distance) P-C4' energy: -64.026
flat angles C4'-P-C4' energy: -51.703
flat angles P-C4'-P energy: -57.947
tors. eta vs tors. theta energy: -65.322
Dist. restrs. and SS energy: 6.311 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -974.285973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.285973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.740323 (E_RNA)
where:
Base-Base interactions energy: -700.529
where: short stacking energy: -287.016
Base-Backbone interact. energy: -1.505
local terms energy: -282.706034
where:
bonds (distance) C4'-P energy: -55.886
bonds (distance) P-C4' energy: -51.764
flat angles C4'-P-C4' energy: -67.670
flat angles P-C4'-P energy: -38.729
tors. eta vs tors. theta energy: -68.657
Dist. restrs. and SS energy: 10.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -931.818872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.818872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.234469 (E_RNA)
where:
Base-Base interactions energy: -644.599
where: short stacking energy: -260.166
Base-Backbone interact. energy: -0.339
local terms energy: -295.296150
where:
bonds (distance) C4'-P energy: -52.071
bonds (distance) P-C4' energy: -54.410
flat angles C4'-P-C4' energy: -66.570
flat angles P-C4'-P energy: -44.370
tors. eta vs tors. theta energy: -77.875
Dist. restrs. and SS energy: 8.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -873.523031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.523031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.547837 (E_RNA)
where:
Base-Base interactions energy: -620.512
where: short stacking energy: -249.367
Base-Backbone interact. energy: 0.460
local terms energy: -260.496017
where:
bonds (distance) C4'-P energy: -38.461
bonds (distance) P-C4' energy: -55.506
flat angles C4'-P-C4' energy: -64.811
flat angles P-C4'-P energy: -34.609
tors. eta vs tors. theta energy: -67.110
Dist. restrs. and SS energy: 7.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -859.406459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.406459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.554231 (E_RNA)
where:
Base-Base interactions energy: -597.203
where: short stacking energy: -229.810
Base-Backbone interact. energy: -0.440
local terms energy: -265.911421
where:
bonds (distance) C4'-P energy: -63.608
bonds (distance) P-C4' energy: -51.815
flat angles C4'-P-C4' energy: -56.546
flat angles P-C4'-P energy: -25.665
tors. eta vs tors. theta energy: -68.279
Dist. restrs. and SS energy: 4.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -1224.080259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.080259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.908988 (E_RNA)
where:
Base-Base interactions energy: -841.686
where: short stacking energy: -360.794
Base-Backbone interact. energy: 1.491
local terms energy: -386.714658
where:
bonds (distance) C4'-P energy: -67.882
bonds (distance) P-C4' energy: -73.909
flat angles C4'-P-C4' energy: -77.285
flat angles P-C4'-P energy: -62.556
tors. eta vs tors. theta energy: -105.083
Dist. restrs. and SS energy: 2.829 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -1147.185154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.185154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.605038 (E_RNA)
where:
Base-Base interactions energy: -805.618
where: short stacking energy: -325.779
Base-Backbone interact. energy: -1.097
local terms energy: -343.889783
where:
bonds (distance) C4'-P energy: -58.995
bonds (distance) P-C4' energy: -75.050
flat angles C4'-P-C4' energy: -75.680
flat angles P-C4'-P energy: -52.337
tors. eta vs tors. theta energy: -81.827
Dist. restrs. and SS energy: 3.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -1142.866835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.866835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.419739 (E_RNA)
where:
Base-Base interactions energy: -822.406
where: short stacking energy: -327.547
Base-Backbone interact. energy: -1.685
local terms energy: -322.328912
where:
bonds (distance) C4'-P energy: -56.051
bonds (distance) P-C4' energy: -62.562
flat angles C4'-P-C4' energy: -69.923
flat angles P-C4'-P energy: -39.877
tors. eta vs tors. theta energy: -93.916
Dist. restrs. and SS energy: 3.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -1103.263826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.263826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.379007 (E_RNA)
where:
Base-Base interactions energy: -774.111
where: short stacking energy: -311.763
Base-Backbone interact. energy: -1.183
local terms energy: -332.085290
where:
bonds (distance) C4'-P energy: -65.789
bonds (distance) P-C4' energy: -63.618
flat angles C4'-P-C4' energy: -62.661
flat angles P-C4'-P energy: -46.581
tors. eta vs tors. theta energy: -93.436
Dist. restrs. and SS energy: 4.115 (S_DIST_RNA)
chem. 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: -1021.579002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.579002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.922130 (E_RNA)
where:
Base-Base interactions energy: -718.754
where: short stacking energy: -298.595
Base-Backbone interact. energy: -0.748
local terms energy: -305.420541
where:
bonds (distance) C4'-P energy: -42.868
bonds (distance) P-C4' energy: -57.200
flat angles C4'-P-C4' energy: -80.817
flat angles P-C4'-P energy: -39.426
tors. eta vs tors. theta energy: -85.111
Dist. restrs. and SS energy: 3.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -1023.896392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.896392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.644766 (E_RNA)
where:
Base-Base interactions energy: -705.872
where: short stacking energy: -286.082
Base-Backbone interact. energy: -3.901
local terms energy: -316.872054
where:
bonds (distance) C4'-P energy: -61.153
bonds (distance) P-C4' energy: -66.968
flat angles C4'-P-C4' energy: -66.148
flat angles P-C4'-P energy: -49.558
tors. eta vs tors. theta energy: -73.045
Dist. restrs. and SS energy: 2.748 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -952.494290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.494290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.288198 (E_RNA)
where:
Base-Base interactions energy: -672.746
where: short stacking energy: -265.235
Base-Backbone interact. energy: -0.530
local terms energy: -285.011874
where:
bonds (distance) C4'-P energy: -65.182
bonds (distance) P-C4' energy: -58.489
flat angles C4'-P-C4' energy: -63.094
flat angles P-C4'-P energy: -37.823
tors. eta vs tors. theta energy: -60.424
Dist. restrs. and SS energy: 5.794 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -892.171302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.171302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.306766 (E_RNA)
where:
Base-Base interactions energy: -634.821
where: short stacking energy: -253.089
Base-Backbone interact. energy: -1.931
local terms energy: -259.554601
where:
bonds (distance) C4'-P energy: -65.237
bonds (distance) P-C4' energy: -58.105
flat angles C4'-P-C4' energy: -46.890
flat angles P-C4'-P energy: -33.823
tors. eta vs tors. theta energy: -55.499
Dist. restrs. and SS energy: 4.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -863.115085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.115085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.408440 (E_RNA)
where:
Base-Base interactions energy: -620.991
where: short stacking energy: -235.417
Base-Backbone interact. energy: -0.600
local terms energy: -245.817958
where:
bonds (distance) C4'-P energy: -50.669
bonds (distance) P-C4' energy: -48.065
flat angles C4'-P-C4' energy: -57.452
flat angles P-C4'-P energy: -32.213
tors. eta vs tors. theta energy: -57.419
Dist. restrs. and SS energy: 4.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -838.597911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.597911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.710881 (E_RNA)
where:
Base-Base interactions energy: -588.743
where: short stacking energy: -236.951
Base-Backbone interact. energy: -0.921
local terms energy: -260.046515
where:
bonds (distance) C4'-P energy: -47.585
bonds (distance) P-C4' energy: -57.389
flat angles C4'-P-C4' energy: -56.349
flat angles P-C4'-P energy: -36.589
tors. eta vs tors. theta energy: -62.134
Dist. restrs. and SS energy: 11.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -1219.865249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.865249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.786676 (E_RNA)
where:
Base-Base interactions energy: -866.269
where: short stacking energy: -352.863
Base-Backbone interact. energy: -3.289
local terms energy: -353.228955
where:
bonds (distance) C4'-P energy: -57.891
bonds (distance) P-C4' energy: -74.634
flat angles C4'-P-C4' energy: -72.971
flat angles P-C4'-P energy: -44.117
tors. eta vs tors. theta energy: -103.615
Dist. restrs. and SS energy: 2.921 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -1165.913819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.913819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.844155 (E_RNA)
where:
Base-Base interactions energy: -830.105
where: short stacking energy: -337.685
Base-Backbone interact. energy: -0.605
local terms energy: -339.134520
where:
bonds (distance) C4'-P energy: -68.621
bonds (distance) P-C4' energy: -65.598
flat angles C4'-P-C4' energy: -72.381
flat angles P-C4'-P energy: -47.727
tors. eta vs tors. theta energy: -84.808
Dist. restrs. and SS energy: 3.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -1146.662866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.662866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.311997 (E_RNA)
where:
Base-Base interactions energy: -817.217
where: short stacking energy: -338.430
Base-Backbone interact. energy: -3.516
local terms energy: -328.578376
where:
bonds (distance) C4'-P energy: -53.629
bonds (distance) P-C4' energy: -60.788
flat angles C4'-P-C4' energy: -65.737
flat angles P-C4'-P energy: -54.709
tors. eta vs tors. theta energy: -93.715
Dist. restrs. and SS energy: 2.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -1072.274902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.274902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.399985 (E_RNA)
where:
Base-Base interactions energy: -759.163
where: short stacking energy: -306.088
Base-Backbone interact. energy: 2.043
local terms energy: -318.280421
where:
bonds (distance) C4'-P energy: -59.121
bonds (distance) P-C4' energy: -61.915
flat angles C4'-P-C4' energy: -65.417
flat angles P-C4'-P energy: -50.602
tors. eta vs tors. theta energy: -81.224
Dist. restrs. and SS energy: 3.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -1018.945481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.945481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.755113 (E_RNA)
where:
Base-Base interactions energy: -708.596
where: short stacking energy: -279.310
Base-Backbone interact. energy: -1.421
local terms energy: -312.737837
where:
bonds (distance) C4'-P energy: -61.036
bonds (distance) P-C4' energy: -58.805
flat angles C4'-P-C4' energy: -71.232
flat angles P-C4'-P energy: -41.674
tors. eta vs tors. theta energy: -79.990
Dist. restrs. and SS energy: 3.810 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -1003.482226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.482226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.999401 (E_RNA)
where:
Base-Base interactions energy: -710.202
where: short stacking energy: -301.413
Base-Backbone interact. energy: -0.666
local terms energy: -298.130848
where:
bonds (distance) C4'-P energy: -50.532
bonds (distance) P-C4' energy: -60.753
flat angles C4'-P-C4' energy: -66.970
flat angles P-C4'-P energy: -43.547
tors. eta vs tors. theta energy: -76.329
Dist. restrs. and SS energy: 5.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -911.830376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.830376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.889964 (E_RNA)
where:
Base-Base interactions energy: -630.307
where: short stacking energy: -239.355
Base-Backbone interact. energy: -1.434
local terms energy: -284.148801
where:
bonds (distance) C4'-P energy: -49.910
bonds (distance) P-C4' energy: -69.898
flat angles C4'-P-C4' energy: -61.486
flat angles P-C4'-P energy: -41.559
tors. eta vs tors. theta energy: -61.295
Dist. restrs. and SS energy: 4.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -919.135711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.135711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.500847 (E_RNA)
where:
Base-Base interactions energy: -644.408
where: short stacking energy: -259.772
Base-Backbone interact. energy: -0.373
local terms energy: -286.720492
where:
bonds (distance) C4'-P energy: -66.758
bonds (distance) P-C4' energy: -63.437
flat angles C4'-P-C4' energy: -61.753
flat angles P-C4'-P energy: -28.447
tors. eta vs tors. theta energy: -66.325
Dist. restrs. and SS energy: 12.365 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -832.928750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.928750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.324757 (E_RNA)
where:
Base-Base interactions energy: -604.317
where: short stacking energy: -229.998
Base-Backbone interact. energy: 4.048
local terms energy: -239.056572
where:
bonds (distance) C4'-P energy: -48.526
bonds (distance) P-C4' energy: -58.504
flat angles C4'-P-C4' energy: -56.483
flat angles P-C4'-P energy: -24.371
tors. eta vs tors. theta energy: -51.173
Dist. restrs. and SS energy: 6.396 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -851.685490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.685490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.610786 (E_RNA)
where:
Base-Base interactions energy: -634.543
where: short stacking energy: -247.753
Base-Backbone interact. energy: 0.079
local terms energy: -227.146375
where:
bonds (distance) C4'-P energy: -41.158
bonds (distance) P-C4' energy: -37.107
flat angles C4'-P-C4' energy: -63.446
flat angles P-C4'-P energy: -28.301
tors. eta vs tors. theta energy: -57.135
Dist. restrs. and SS energy: 9.925 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -1233.820712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.820712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.352191 (E_RNA)
where:
Base-Base interactions energy: -868.410
where: short stacking energy: -349.106
Base-Backbone interact. energy: -4.431
local terms energy: -363.510878
where:
bonds (distance) C4'-P energy: -63.756
bonds (distance) P-C4' energy: -74.214
flat angles C4'-P-C4' energy: -71.873
flat angles P-C4'-P energy: -57.178
tors. eta vs tors. theta energy: -96.490
Dist. restrs. and SS energy: 2.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -1179.019900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.019900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.714338 (E_RNA)
where:
Base-Base interactions energy: -824.199
where: short stacking energy: -354.073
Base-Backbone interact. energy: -0.918
local terms energy: -356.597505
where:
bonds (distance) C4'-P energy: -68.378
bonds (distance) P-C4' energy: -68.642
flat angles C4'-P-C4' energy: -70.045
flat angles P-C4'-P energy: -46.910
tors. eta vs tors. theta energy: -102.621
Dist. restrs. and SS energy: 2.694 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -1107.952117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.952117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.213099 (E_RNA)
where:
Base-Base interactions energy: -774.936
where: short stacking energy: -330.305
Base-Backbone interact. energy: -4.112
local terms energy: -333.164599
where:
bonds (distance) C4'-P energy: -59.770
bonds (distance) P-C4' energy: -59.904
flat angles C4'-P-C4' energy: -72.600
flat angles P-C4'-P energy: -55.129
tors. eta vs tors. theta energy: -85.761
Dist. restrs. and SS energy: 4.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -1074.789176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.789176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.177399 (E_RNA)
where:
Base-Base interactions energy: -755.838
where: short stacking energy: -293.748
Base-Backbone interact. energy: -2.289
local terms energy: -322.050133
where:
bonds (distance) C4'-P energy: -55.417
bonds (distance) P-C4' energy: -71.513
flat angles C4'-P-C4' energy: -69.851
flat angles P-C4'-P energy: -42.829
tors. eta vs tors. theta energy: -82.440
Dist. restrs. and SS energy: 5.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -1022.905598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.905598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.261818 (E_RNA)
where:
Base-Base interactions energy: -725.612
where: short stacking energy: -278.127
Base-Backbone interact. energy: -2.324
local terms energy: -298.325845
where:
bonds (distance) C4'-P energy: -53.627
bonds (distance) P-C4' energy: -58.067
flat angles C4'-P-C4' energy: -76.112
flat angles P-C4'-P energy: -35.032
tors. eta vs tors. theta energy: -75.488
Dist. restrs. and SS energy: 3.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -1030.904471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.904471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.573206 (E_RNA)
where:
Base-Base interactions energy: -713.345
where: short stacking energy: -297.982
Base-Backbone interact. energy: 0.746
local terms energy: -325.974015
where:
bonds (distance) C4'-P energy: -60.918
bonds (distance) P-C4' energy: -67.022
flat angles C4'-P-C4' energy: -68.482
flat angles P-C4'-P energy: -51.389
tors. eta vs tors. theta energy: -78.162
Dist. restrs. and SS energy: 7.669 (S_DIST_RNA)
chem. 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: -933.492890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.492890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.620063 (E_RNA)
where:
Base-Base interactions energy: -652.182
where: short stacking energy: -256.893
Base-Backbone interact. energy: 0.297
local terms energy: -286.734878
where:
bonds (distance) C4'-P energy: -59.038
bonds (distance) P-C4' energy: -69.917
flat angles C4'-P-C4' energy: -62.789
flat angles P-C4'-P energy: -35.860
tors. eta vs tors. theta energy: -59.131
Dist. restrs. and SS energy: 5.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -919.458415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.458415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.954463 (E_RNA)
where:
Base-Base interactions energy: -649.729
where: short stacking energy: -266.354
Base-Backbone interact. energy: 3.783
local terms energy: -282.008903
where:
bonds (distance) C4'-P energy: -58.265
bonds (distance) P-C4' energy: -53.737
flat angles C4'-P-C4' energy: -55.857
flat angles P-C4'-P energy: -39.725
tors. eta vs tors. theta energy: -74.425
Dist. restrs. and SS energy: 8.496 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -832.425971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.425971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.218664 (E_RNA)
where:
Base-Base interactions energy: -588.672
where: short stacking energy: -227.184
Base-Backbone interact. energy: -1.135
local terms energy: -250.412223
where:
bonds (distance) C4'-P energy: -31.290
bonds (distance) P-C4' energy: -56.019
flat angles C4'-P-C4' energy: -61.012
flat angles P-C4'-P energy: -43.565
tors. eta vs tors. theta energy: -58.527
Dist. restrs. and SS energy: 7.793 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -853.005444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.005444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.010129 (E_RNA)
where:
Base-Base interactions energy: -603.189
where: short stacking energy: -224.859
Base-Backbone interact. energy: -0.386
local terms energy: -256.435690
where:
bonds (distance) C4'-P energy: -49.828
bonds (distance) P-C4' energy: -50.960
flat angles C4'-P-C4' energy: -55.828
flat angles P-C4'-P energy: -45.094
tors. eta vs tors. theta energy: -54.725
Dist. restrs. and SS energy: 7.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -1216.749492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.749492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.769020 (E_RNA)
where:
Base-Base interactions energy: -883.815
where: short stacking energy: -329.242
Base-Backbone interact. energy: 0.369
local terms energy: -336.323143
where:
bonds (distance) C4'-P energy: -58.208
bonds (distance) P-C4' energy: -68.697
flat angles C4'-P-C4' energy: -74.852
flat angles P-C4'-P energy: -38.270
tors. eta vs tors. theta energy: -96.296
Dist. restrs. and SS energy: 3.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -1174.328783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.328783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.695293 (E_RNA)
where:
Base-Base interactions energy: -813.611
where: short stacking energy: -350.355
Base-Backbone interact. energy: -1.775
local terms energy: -362.309144
where:
bonds (distance) C4'-P energy: -65.274
bonds (distance) P-C4' energy: -74.022
flat angles C4'-P-C4' energy: -76.998
flat angles P-C4'-P energy: -45.577
tors. eta vs tors. theta energy: -100.438
Dist. restrs. and SS energy: 3.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -1074.388670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.388670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.152205 (E_RNA)
where:
Base-Base interactions energy: -741.038
where: short stacking energy: -309.485
Base-Backbone interact. energy: -4.149
local terms energy: -332.965816
where:
bonds (distance) C4'-P energy: -72.514
bonds (distance) P-C4' energy: -63.226
flat angles C4'-P-C4' energy: -66.283
flat angles P-C4'-P energy: -54.234
tors. eta vs tors. theta energy: -76.709
Dist. restrs. and SS energy: 3.764 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -1072.247711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.247711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.021537 (E_RNA)
where:
Base-Base interactions energy: -748.172
where: short stacking energy: -293.406
Base-Backbone interact. energy: -2.818
local terms energy: -325.031324
where:
bonds (distance) C4'-P energy: -63.433
bonds (distance) P-C4' energy: -58.923
flat angles C4'-P-C4' energy: -77.063
flat angles P-C4'-P energy: -47.471
tors. eta vs tors. theta energy: -78.141
Dist. restrs. and SS energy: 3.774 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -1027.864439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.864439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.420517 (E_RNA)
where:
Base-Base interactions energy: -736.440
where: short stacking energy: -287.546
Base-Backbone interact. energy: -1.671
local terms energy: -293.309877
where:
bonds (distance) C4'-P energy: -61.184
bonds (distance) P-C4' energy: -48.089
flat angles C4'-P-C4' energy: -65.564
flat angles P-C4'-P energy: -47.313
tors. eta vs tors. theta energy: -71.160
Dist. restrs. and SS energy: 3.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -993.595816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.595816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.449621 (E_RNA)
where:
Base-Base interactions energy: -683.022
where: short stacking energy: -284.306
Base-Backbone interact. energy: -1.356
local terms energy: -315.072061
where:
bonds (distance) C4'-P energy: -50.717
bonds (distance) P-C4' energy: -74.170
flat angles C4'-P-C4' energy: -65.633
flat angles P-C4'-P energy: -46.074
tors. eta vs tors. theta energy: -78.478
Dist. restrs. and SS energy: 5.854 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -937.455380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.455380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.448149 (E_RNA)
where:
Base-Base interactions energy: -660.756
where: short stacking energy: -236.265
Base-Backbone interact. energy: -1.084
local terms energy: -278.607740
where:
bonds (distance) C4'-P energy: -56.792
bonds (distance) P-C4' energy: -59.150
flat angles C4'-P-C4' energy: -62.613
flat angles P-C4'-P energy: -47.201
tors. eta vs tors. theta energy: -52.852
Dist. restrs. and SS energy: 2.993 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -876.609245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.609245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.867811 (E_RNA)
where:
Base-Base interactions energy: -618.180
where: short stacking energy: -238.512
Base-Backbone interact. energy: 4.885
local terms energy: -268.572857
where:
bonds (distance) C4'-P energy: -49.464
bonds (distance) P-C4' energy: -59.402
flat angles C4'-P-C4' energy: -69.521
flat angles P-C4'-P energy: -34.472
tors. eta vs tors. theta energy: -55.713
Dist. restrs. and SS energy: 5.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -864.794342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.794342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.692537 (E_RNA)
where:
Base-Base interactions energy: -616.581
where: short stacking energy: -229.007
Base-Backbone interact. energy: 1.113
local terms energy: -260.225002
where:
bonds (distance) C4'-P energy: -45.368
bonds (distance) P-C4' energy: -57.395
flat angles C4'-P-C4' energy: -64.969
flat angles P-C4'-P energy: -39.135
tors. eta vs tors. theta energy: -53.357
Dist. restrs. and SS energy: 10.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -853.944066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.944066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.029912 (E_RNA)
where:
Base-Base interactions energy: -612.382
where: short stacking energy: -226.360
Base-Backbone interact. energy: 0.301
local terms energy: -247.949259
where:
bonds (distance) C4'-P energy: -54.016
bonds (distance) P-C4' energy: -57.396
flat angles C4'-P-C4' energy: -55.699
flat angles P-C4'-P energy: -31.420
tors. eta vs tors. theta energy: -49.419
Dist. restrs. and SS energy: 6.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -1231.073966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.073966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.962972 (E_RNA)
where:
Base-Base interactions energy: -863.940
where: short stacking energy: -347.128
Base-Backbone interact. energy: -1.857
local terms energy: -368.166071
where:
bonds (distance) C4'-P energy: -70.109
bonds (distance) P-C4' energy: -70.658
flat angles C4'-P-C4' energy: -78.053
flat angles P-C4'-P energy: -51.796
tors. eta vs tors. theta energy: -97.551
Dist. restrs. and SS energy: 2.889 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -1184.913172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.913172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.732016 (E_RNA)
where:
Base-Base interactions energy: -836.171
where: short stacking energy: -338.087
Base-Backbone interact. energy: -0.804
local terms energy: -350.756469
where:
bonds (distance) C4'-P energy: -59.991
bonds (distance) P-C4' energy: -67.827
flat angles C4'-P-C4' energy: -76.533
flat angles P-C4'-P energy: -50.502
tors. eta vs tors. theta energy: -95.904
Dist. restrs. and SS energy: 2.819 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -1088.429333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.429333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.740621 (E_RNA)
where:
Base-Base interactions energy: -753.833
where: short stacking energy: -305.778
Base-Backbone interact. energy: -3.169
local terms energy: -335.738772
where:
bonds (distance) C4'-P energy: -63.146
bonds (distance) P-C4' energy: -71.980
flat angles C4'-P-C4' energy: -68.051
flat angles P-C4'-P energy: -45.051
tors. eta vs tors. theta energy: -87.512
Dist. restrs. and SS energy: 4.311 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -1057.246924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.246924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.703389 (E_RNA)
where:
Base-Base interactions energy: -744.140
where: short stacking energy: -277.438
Base-Backbone interact. energy: 0.608
local terms energy: -317.171959
where:
bonds (distance) C4'-P energy: -56.490
bonds (distance) P-C4' energy: -70.401
flat angles C4'-P-C4' energy: -63.982
flat angles P-C4'-P energy: -52.239
tors. eta vs tors. theta energy: -74.060
Dist. restrs. and SS energy: 3.456 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -1034.715654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.715654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.095118 (E_RNA)
where:
Base-Base interactions energy: -732.098
where: short stacking energy: -298.449
Base-Backbone interact. energy: -1.231
local terms energy: -308.765754
where:
bonds (distance) C4'-P energy: -62.624
bonds (distance) P-C4' energy: -62.793
flat angles C4'-P-C4' energy: -74.738
flat angles P-C4'-P energy: -32.064
tors. eta vs tors. theta energy: -76.548
Dist. restrs. and SS energy: 7.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -1005.316761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.316761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.514377 (E_RNA)
where:
Base-Base interactions energy: -686.073
where: short stacking energy: -279.512
Base-Backbone interact. energy: 0.161
local terms energy: -323.602661
where:
bonds (distance) C4'-P energy: -63.785
bonds (distance) P-C4' energy: -67.449
flat angles C4'-P-C4' energy: -69.530
flat angles P-C4'-P energy: -40.963
tors. eta vs tors. theta energy: -81.876
Dist. restrs. and SS energy: 4.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -947.495023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.495023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.542342 (E_RNA)
where:
Base-Base interactions energy: -663.697
where: short stacking energy: -269.083
Base-Backbone interact. energy: -1.245
local terms energy: -286.599539
where:
bonds (distance) C4'-P energy: -49.232
bonds (distance) P-C4' energy: -61.348
flat angles C4'-P-C4' energy: -60.814
flat angles P-C4'-P energy: -43.440
tors. eta vs tors. theta energy: -71.766
Dist. restrs. and SS energy: 4.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -912.723183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.723183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.607375 (E_RNA)
where:
Base-Base interactions energy: -638.056
where: short stacking energy: -240.912
Base-Backbone interact. energy: -0.907
local terms energy: -286.643995
where:
bonds (distance) C4'-P energy: -55.954
bonds (distance) P-C4' energy: -53.674
flat angles C4'-P-C4' energy: -68.061
flat angles P-C4'-P energy: -40.041
tors. eta vs tors. theta energy: -68.913
Dist. restrs. and SS energy: 12.884 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -859.715368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.715368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.057131 (E_RNA)
where:
Base-Base interactions energy: -610.002
where: short stacking energy: -240.829
Base-Backbone interact. energy: -0.057
local terms energy: -256.997703
where:
bonds (distance) C4'-P energy: -52.653
bonds (distance) P-C4' energy: -55.538
flat angles C4'-P-C4' energy: -62.922
flat angles P-C4'-P energy: -27.320
tors. eta vs tors. theta energy: -58.564
Dist. restrs. and SS energy: 7.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -872.827770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.827770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.390320 (E_RNA)
where:
Base-Base interactions energy: -625.930
where: short stacking energy: -241.407
Base-Backbone interact. energy: 1.228
local terms energy: -254.688066
where:
bonds (distance) C4'-P energy: -47.480
bonds (distance) P-C4' energy: -53.283
flat angles C4'-P-C4' energy: -63.154
flat angles P-C4'-P energy: -34.108
tors. eta vs tors. theta energy: -56.662
Dist. restrs. and SS energy: 6.563 (S_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: 316
Temperature: 0.900000
Total energy: -1220.835903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.835903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.011280 (E_RNA)
where:
Base-Base interactions energy: -871.431
where: short stacking energy: -351.317
Base-Backbone interact. energy: 0.085
local terms energy: -352.665888
where:
bonds (distance) C4'-P energy: -49.886
bonds (distance) P-C4' energy: -71.344
flat angles C4'-P-C4' energy: -73.669
flat angles P-C4'-P energy: -57.804
tors. eta vs tors. theta energy: -99.963
Dist. restrs. and SS energy: 3.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -1181.929637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.929637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.539563 (E_RNA)
where:
Base-Base interactions energy: -817.986
where: short stacking energy: -342.400
Base-Backbone interact. energy: -1.297
local terms energy: -366.256439
where:
bonds (distance) C4'-P energy: -71.587
bonds (distance) P-C4' energy: -71.192
flat angles C4'-P-C4' energy: -72.755
flat angles P-C4'-P energy: -50.428
tors. eta vs tors. theta energy: -100.295
Dist. restrs. and SS energy: 3.610 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -1101.411202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.411202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.353827 (E_RNA)
where:
Base-Base interactions energy: -750.845
where: short stacking energy: -306.812
Base-Backbone interact. energy: -1.826
local terms energy: -352.682785
where:
bonds (distance) C4'-P energy: -71.111
bonds (distance) P-C4' energy: -70.206
flat angles C4'-P-C4' energy: -79.756
flat angles P-C4'-P energy: -46.765
tors. eta vs tors. theta energy: -84.845
Dist. restrs. and SS energy: 3.943 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -1073.835762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.835762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.670978 (E_RNA)
where:
Base-Base interactions energy: -748.127
where: short stacking energy: -308.511
Base-Backbone interact. energy: -2.363
local terms energy: -327.180784
where:
bonds (distance) C4'-P energy: -61.636
bonds (distance) P-C4' energy: -71.350
flat angles C4'-P-C4' energy: -67.177
flat angles P-C4'-P energy: -48.756
tors. eta vs tors. theta energy: -78.261
Dist. restrs. and SS energy: 3.835 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -1076.681588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.681588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.043949 (E_RNA)
where:
Base-Base interactions energy: -745.201
where: short stacking energy: -304.530
Base-Backbone interact. energy: -1.450
local terms energy: -337.392299
where:
bonds (distance) C4'-P energy: -65.655
bonds (distance) P-C4' energy: -59.224
flat angles C4'-P-C4' energy: -77.994
flat angles P-C4'-P energy: -42.465
tors. eta vs tors. theta energy: -92.054
Dist. restrs. and SS energy: 7.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -993.982548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.982548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.782692 (E_RNA)
where:
Base-Base interactions energy: -680.096
where: short stacking energy: -271.579
Base-Backbone interact. energy: -2.173
local terms energy: -316.513115
where:
bonds (distance) C4'-P energy: -58.187
bonds (distance) P-C4' energy: -60.853
flat angles C4'-P-C4' energy: -75.909
flat angles P-C4'-P energy: -49.792
tors. eta vs tors. theta energy: -71.772
Dist. restrs. and SS energy: 4.800 (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: 316
Temperature: 1.200000
Total energy: -971.348511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.348511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.621785 (E_RNA)
where:
Base-Base interactions energy: -661.581
where: short stacking energy: -268.146
Base-Backbone interact. energy: -0.230
local terms energy: -312.810660
where:
bonds (distance) C4'-P energy: -60.149
bonds (distance) P-C4' energy: -62.316
flat angles C4'-P-C4' energy: -60.612
flat angles P-C4'-P energy: -47.511
tors. eta vs tors. theta energy: -82.223
Dist. restrs. and SS energy: 3.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -943.910784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.910784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.052745 (E_RNA)
where:
Base-Base interactions energy: -680.193
where: short stacking energy: -289.726
Base-Backbone interact. energy: 2.653
local terms energy: -274.512412
where:
bonds (distance) C4'-P energy: -48.376
bonds (distance) P-C4' energy: -53.957
flat angles C4'-P-C4' energy: -58.056
flat angles P-C4'-P energy: -41.234
tors. eta vs tors. theta energy: -72.890
Dist. restrs. and SS energy: 8.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -870.779107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.779107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.276569 (E_RNA)
where:
Base-Base interactions energy: -618.337
where: short stacking energy: -247.693
Base-Backbone interact. energy: -0.292
local terms energy: -264.647712
where:
bonds (distance) C4'-P energy: -44.364
bonds (distance) P-C4' energy: -48.034
flat angles C4'-P-C4' energy: -63.937
flat angles P-C4'-P energy: -46.499
tors. eta vs tors. theta energy: -61.813
Dist. restrs. and SS energy: 12.497 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -840.132150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.132150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.412174 (E_RNA)
where:
Base-Base interactions energy: -602.107
where: short stacking energy: -232.961
Base-Backbone interact. energy: -3.502
local terms energy: -243.802696
where:
bonds (distance) C4'-P energy: -37.920
bonds (distance) P-C4' energy: -61.172
flat angles C4'-P-C4' energy: -56.740
flat angles P-C4'-P energy: -30.656
tors. eta vs tors. theta energy: -57.315
Dist. restrs. and SS energy: 9.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -1223.314960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.314960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.413704 (E_RNA)
where:
Base-Base interactions energy: -867.851
where: short stacking energy: -341.452
Base-Backbone interact. energy: -2.492
local terms energy: -356.070874
where:
bonds (distance) C4'-P energy: -62.014
bonds (distance) P-C4' energy: -74.188
flat angles C4'-P-C4' energy: -75.703
flat angles P-C4'-P energy: -49.331
tors. eta vs tors. theta energy: -94.834
Dist. restrs. and SS energy: 3.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -1170.924713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.924713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.297153 (E_RNA)
where:
Base-Base interactions energy: -813.168
where: short stacking energy: -332.058
Base-Backbone interact. energy: 0.142
local terms energy: -361.271069
where:
bonds (distance) C4'-P energy: -68.505
bonds (distance) P-C4' energy: -76.166
flat angles C4'-P-C4' energy: -78.164
flat angles P-C4'-P energy: -45.764
tors. eta vs tors. theta energy: -92.673
Dist. restrs. and SS energy: 3.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -1075.302148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.302148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.423982 (E_RNA)
where:
Base-Base interactions energy: -775.014
where: short stacking energy: -290.008
Base-Backbone interact. energy: -0.570
local terms energy: -302.840455
where:
bonds (distance) C4'-P energy: -56.831
bonds (distance) P-C4' energy: -51.961
flat angles C4'-P-C4' energy: -69.161
flat angles P-C4'-P energy: -51.534
tors. eta vs tors. theta energy: -73.354
Dist. restrs. and SS energy: 3.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -1086.127938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.127938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.749323 (E_RNA)
where:
Base-Base interactions energy: -753.703
where: short stacking energy: -301.676
Base-Backbone interact. energy: -1.529
local terms energy: -335.517199
where:
bonds (distance) C4'-P energy: -66.142
bonds (distance) P-C4' energy: -66.354
flat angles C4'-P-C4' energy: -72.511
flat angles P-C4'-P energy: -50.523
tors. eta vs tors. theta energy: -79.988
Dist. restrs. and SS energy: 4.621 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -1050.458487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.458487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.558251 (E_RNA)
where:
Base-Base interactions energy: -714.364
where: short stacking energy: -307.628
Base-Backbone interact. energy: -0.596
local terms energy: -342.598086
where:
bonds (distance) C4'-P energy: -64.184
bonds (distance) P-C4' energy: -73.995
flat angles C4'-P-C4' energy: -68.436
flat angles P-C4'-P energy: -51.463
tors. eta vs tors. theta energy: -84.520
Dist. restrs. and SS energy: 7.100 (S_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: 317
Temperature: 1.150000
Total energy: -989.259393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.259393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.395056 (E_RNA)
where:
Base-Base interactions energy: -701.346
where: short stacking energy: -290.250
Base-Backbone interact. energy: -0.489
local terms energy: -293.559098
where:
bonds (distance) C4'-P energy: -57.647
bonds (distance) P-C4' energy: -47.559
flat angles C4'-P-C4' energy: -65.136
flat angles P-C4'-P energy: -48.680
tors. eta vs tors. theta energy: -74.537
Dist. restrs. and SS energy: 6.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -1001.784809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.784809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.263300 (E_RNA)
where:
Base-Base interactions energy: -715.882
where: short stacking energy: -274.255
Base-Backbone interact. energy: -0.795
local terms energy: -288.585946
where:
bonds (distance) C4'-P energy: -53.673
bonds (distance) P-C4' energy: -61.520
flat angles C4'-P-C4' energy: -60.479
flat angles P-C4'-P energy: -40.834
tors. eta vs tors. theta energy: -72.080
Dist. restrs. and SS energy: 3.478 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -928.088157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.088157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.441601 (E_RNA)
where:
Base-Base interactions energy: -653.209
where: short stacking energy: -270.912
Base-Backbone interact. energy: -1.646
local terms energy: -284.585868
where:
bonds (distance) C4'-P energy: -49.831
bonds (distance) P-C4' energy: -56.092
flat angles C4'-P-C4' energy: -53.631
flat angles P-C4'-P energy: -54.551
tors. eta vs tors. theta energy: -70.482
Dist. restrs. and SS energy: 11.353 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -869.098790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.098790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.797304 (E_RNA)
where:
Base-Base interactions energy: -611.273
where: short stacking energy: -242.332
Base-Backbone interact. energy: -1.162
local terms energy: -263.362717
where:
bonds (distance) C4'-P energy: -45.199
bonds (distance) P-C4' energy: -52.602
flat angles C4'-P-C4' energy: -70.353
flat angles P-C4'-P energy: -35.723
tors. eta vs tors. theta energy: -59.486
Dist. restrs. and SS energy: 6.699 (S_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: 317
Temperature: 1.350000
Total energy: -875.007642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.007642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.262686 (E_RNA)
where:
Base-Base interactions energy: -611.977
where: short stacking energy: -235.316
Base-Backbone interact. energy: -0.545
local terms energy: -267.741303
where:
bonds (distance) C4'-P energy: -49.859
bonds (distance) P-C4' energy: -53.784
flat angles C4'-P-C4' energy: -66.420
flat angles P-C4'-P energy: -46.557
tors. eta vs tors. theta energy: -51.122
Dist. restrs. and SS energy: 5.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -1224.774163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.774163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.392065 (E_RNA)
where:
Base-Base interactions energy: -852.131
where: short stacking energy: -339.977
Base-Backbone interact. energy: 1.593
local terms energy: -376.853912
where:
bonds (distance) C4'-P energy: -71.199
bonds (distance) P-C4' energy: -71.467
flat angles C4'-P-C4' energy: -75.686
flat angles P-C4'-P energy: -57.678
tors. eta vs tors. theta energy: -100.823
Dist. restrs. and SS energy: 2.618 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -1167.879785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.879785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.748910 (E_RNA)
where:
Base-Base interactions energy: -816.067
where: short stacking energy: -334.167
Base-Backbone interact. energy: -0.767
local terms energy: -353.914455
where:
bonds (distance) C4'-P energy: -67.303
bonds (distance) P-C4' energy: -64.280
flat angles C4'-P-C4' energy: -74.612
flat angles P-C4'-P energy: -49.310
tors. eta vs tors. theta energy: -98.410
Dist. restrs. and SS energy: 2.869 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -1105.523870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.523870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.719967 (E_RNA)
where:
Base-Base interactions energy: -763.043
where: short stacking energy: -319.898
Base-Backbone interact. energy: -1.329
local terms energy: -344.348019
where:
bonds (distance) C4'-P energy: -59.391
bonds (distance) P-C4' energy: -68.029
flat angles C4'-P-C4' energy: -77.662
flat angles P-C4'-P energy: -43.875
tors. eta vs tors. theta energy: -95.391
Dist. restrs. and SS energy: 3.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -1064.329113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.329113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.545092 (E_RNA)
where:
Base-Base interactions energy: -761.395
where: short stacking energy: -276.148
Base-Backbone interact. energy: -1.424
local terms energy: -304.726316
where:
bonds (distance) C4'-P energy: -52.592
bonds (distance) P-C4' energy: -64.650
flat angles C4'-P-C4' energy: -79.820
flat angles P-C4'-P energy: -39.737
tors. eta vs tors. theta energy: -67.928
Dist. restrs. and SS energy: 3.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -1022.744148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.744148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.752745 (E_RNA)
where:
Base-Base interactions energy: -700.726
where: short stacking energy: -299.131
Base-Backbone interact. energy: -1.333
local terms energy: -327.693796
where:
bonds (distance) C4'-P energy: -62.609
bonds (distance) P-C4' energy: -63.966
flat angles C4'-P-C4' energy: -76.175
flat angles P-C4'-P energy: -47.610
tors. eta vs tors. theta energy: -77.334
Dist. restrs. and SS energy: 7.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -989.836824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.836824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.504361 (E_RNA)
where:
Base-Base interactions energy: -688.587
where: short stacking energy: -287.580
Base-Backbone interact. energy: -1.610
local terms energy: -304.306864
where:
bonds (distance) C4'-P energy: -49.093
bonds (distance) P-C4' energy: -69.045
flat angles C4'-P-C4' energy: -66.296
flat angles P-C4'-P energy: -43.827
tors. eta vs tors. theta energy: -76.047
Dist. restrs. and SS energy: 4.668 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -975.190414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.190414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.609329 (E_RNA)
where:
Base-Base interactions energy: -687.033
where: short stacking energy: -276.413
Base-Backbone interact. energy: 0.560
local terms energy: -293.136189
where:
bonds (distance) C4'-P energy: -58.138
bonds (distance) P-C4' energy: -49.663
flat angles C4'-P-C4' energy: -66.055
flat angles P-C4'-P energy: -45.656
tors. eta vs tors. theta energy: -73.624
Dist. restrs. and SS energy: 4.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -926.678762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.678762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.657813 (E_RNA)
where:
Base-Base interactions energy: -662.772
where: short stacking energy: -250.669
Base-Backbone interact. energy: 0.015
local terms energy: -271.900829
where:
bonds (distance) C4'-P energy: -54.283
bonds (distance) P-C4' energy: -45.881
flat angles C4'-P-C4' energy: -69.838
flat angles P-C4'-P energy: -41.652
tors. eta vs tors. theta energy: -60.246
Dist. restrs. and SS energy: 7.979 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -875.063053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.063053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.569042 (E_RNA)
where:
Base-Base interactions energy: -621.233
where: short stacking energy: -234.592
Base-Backbone interact. energy: -0.690
local terms energy: -259.646532
where:
bonds (distance) C4'-P energy: -58.670
bonds (distance) P-C4' energy: -52.279
flat angles C4'-P-C4' energy: -54.832
flat angles P-C4'-P energy: -32.161
tors. eta vs tors. theta energy: -61.703
Dist. restrs. and SS energy: 6.506 (S_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: 318
Temperature: 1.350000
Total energy: -849.483207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.483207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.366511 (E_RNA)
where:
Base-Base interactions energy: -585.791
where: short stacking energy: -228.441
Base-Backbone interact. energy: 2.114
local terms energy: -270.689612
where:
bonds (distance) C4'-P energy: -58.996
bonds (distance) P-C4' energy: -62.917
flat angles C4'-P-C4' energy: -61.412
flat angles P-C4'-P energy: -37.004
tors. eta vs tors. theta energy: -50.361
Dist. restrs. and SS energy: 4.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -1217.819369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.819369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.640220 (E_RNA)
where:
Base-Base interactions energy: -867.765
where: short stacking energy: -355.848
Base-Backbone interact. energy: -0.719
local terms energy: -352.156463
where:
bonds (distance) C4'-P energy: -60.125
bonds (distance) P-C4' energy: -63.150
flat angles C4'-P-C4' energy: -75.276
flat angles P-C4'-P energy: -50.793
tors. eta vs tors. theta energy: -102.812
Dist. restrs. and SS energy: 2.821 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -1172.320747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.320747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.727099 (E_RNA)
where:
Base-Base interactions energy: -816.883
where: short stacking energy: -348.194
Base-Backbone interact. energy: -3.772
local terms energy: -355.071587
where:
bonds (distance) C4'-P energy: -65.605
bonds (distance) P-C4' energy: -67.027
flat angles C4'-P-C4' energy: -73.201
flat angles P-C4'-P energy: -49.395
tors. eta vs tors. theta energy: -99.844
Dist. restrs. and SS energy: 3.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -1136.469049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.469049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.553548 (E_RNA)
where:
Base-Base interactions energy: -799.576
where: short stacking energy: -318.927
Base-Backbone interact. energy: -2.455
local terms energy: -337.522228
where:
bonds (distance) C4'-P energy: -66.717
bonds (distance) P-C4' energy: -59.885
flat angles C4'-P-C4' energy: -70.933
flat angles P-C4'-P energy: -44.706
tors. eta vs tors. theta energy: -95.282
Dist. restrs. and SS energy: 3.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -1067.628321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.628321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.944469 (E_RNA)
where:
Base-Base interactions energy: -763.254
where: short stacking energy: -299.445
Base-Backbone interact. energy: -3.049
local terms energy: -304.641361
where:
bonds (distance) C4'-P energy: -56.457
bonds (distance) P-C4' energy: -65.419
flat angles C4'-P-C4' energy: -73.741
flat angles P-C4'-P energy: -39.593
tors. eta vs tors. theta energy: -69.431
Dist. restrs. and SS energy: 3.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -997.727114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.727114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.744002 (E_RNA)
where:
Base-Base interactions energy: -669.730
where: short stacking energy: -290.578
Base-Backbone interact. energy: -1.311
local terms energy: -329.703542
where:
bonds (distance) C4'-P energy: -57.295
bonds (distance) P-C4' energy: -73.829
flat angles C4'-P-C4' energy: -77.310
flat angles P-C4'-P energy: -46.861
tors. eta vs tors. theta energy: -74.408
Dist. restrs. and SS energy: 3.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -1028.491124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.491124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.441512 (E_RNA)
where:
Base-Base interactions energy: -722.005
where: short stacking energy: -290.415
Base-Backbone interact. energy: 1.121
local terms energy: -311.557696
where:
bonds (distance) C4'-P energy: -59.175
bonds (distance) P-C4' energy: -59.438
flat angles C4'-P-C4' energy: -75.196
flat angles P-C4'-P energy: -46.047
tors. eta vs tors. theta energy: -71.702
Dist. restrs. and SS energy: 3.950 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -970.375139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.375139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.634267 (E_RNA)
where:
Base-Base interactions energy: -678.414
where: short stacking energy: -263.388
Base-Backbone interact. energy: -1.509
local terms energy: -297.711792
where:
bonds (distance) C4'-P energy: -63.527
bonds (distance) P-C4' energy: -61.246
flat angles C4'-P-C4' energy: -74.599
flat angles P-C4'-P energy: -29.713
tors. eta vs tors. theta energy: -68.627
Dist. restrs. and SS energy: 7.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -916.913107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.913107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.845656 (E_RNA)
where:
Base-Base interactions energy: -653.724
where: short stacking energy: -242.916
Base-Backbone interact. energy: 3.467
local terms energy: -270.588152
where:
bonds (distance) C4'-P energy: -59.000
bonds (distance) P-C4' energy: -58.920
flat angles C4'-P-C4' energy: -58.671
flat angles P-C4'-P energy: -37.479
tors. eta vs tors. theta energy: -56.517
Dist. restrs. and SS energy: 3.933 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -861.306619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.306619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.180207 (E_RNA)
where:
Base-Base interactions energy: -595.894
where: short stacking energy: -213.569
Base-Backbone interact. energy: 1.374
local terms energy: -272.660789
where:
bonds (distance) C4'-P energy: -57.707
bonds (distance) P-C4' energy: -65.810
flat angles C4'-P-C4' energy: -47.798
flat angles P-C4'-P energy: -39.882
tors. eta vs tors. theta energy: -61.464
Dist. restrs. and SS energy: 5.874 (S_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: 319
Temperature: 1.350000
Total energy: -779.391566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.391566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.010448 (E_RNA)
where:
Base-Base interactions energy: -570.742
where: short stacking energy: -202.903
Base-Backbone interact. energy: -2.625
local terms energy: -213.643585
where:
bonds (distance) C4'-P energy: -38.507
bonds (distance) P-C4' energy: -61.976
flat angles C4'-P-C4' energy: -44.380
flat angles P-C4'-P energy: -23.044
tors. eta vs tors. theta energy: -45.737
Dist. restrs. and SS energy: 7.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -1233.447630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.447630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.044893 (E_RNA)
where:
Base-Base interactions energy: -868.893
where: short stacking energy: -365.019
Base-Backbone interact. energy: -2.545
local terms energy: -364.607479
where:
bonds (distance) C4'-P energy: -62.093
bonds (distance) P-C4' energy: -69.567
flat angles C4'-P-C4' energy: -81.613
flat angles P-C4'-P energy: -49.710
tors. eta vs tors. theta energy: -101.624
Dist. restrs. and SS energy: 2.597 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -1173.132130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.132130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.746778 (E_RNA)
where:
Base-Base interactions energy: -825.461
where: short stacking energy: -352.601
Base-Backbone interact. energy: -2.088
local terms energy: -348.198521
where:
bonds (distance) C4'-P energy: -60.280
bonds (distance) P-C4' energy: -69.597
flat angles C4'-P-C4' energy: -71.954
flat angles P-C4'-P energy: -51.761
tors. eta vs tors. theta energy: -94.607
Dist. restrs. and SS energy: 2.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -1149.374804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.374804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.973085 (E_RNA)
where:
Base-Base interactions energy: -807.356
where: short stacking energy: -328.083
Base-Backbone interact. energy: -1.765
local terms energy: -342.852123
where:
bonds (distance) C4'-P energy: -61.775
bonds (distance) P-C4' energy: -62.786
flat angles C4'-P-C4' energy: -73.755
flat angles P-C4'-P energy: -52.894
tors. eta vs tors. theta energy: -91.641
Dist. restrs. and SS energy: 2.598 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -1082.114878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.114878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.820382 (E_RNA)
where:
Base-Base interactions energy: -754.753
where: short stacking energy: -301.781
Base-Backbone interact. energy: -1.088
local terms energy: -328.979599
where:
bonds (distance) C4'-P energy: -54.467
bonds (distance) P-C4' energy: -67.431
flat angles C4'-P-C4' energy: -73.844
flat angles P-C4'-P energy: -52.830
tors. eta vs tors. theta energy: -80.408
Dist. restrs. and SS energy: 2.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -1045.776406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.776406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.657534 (E_RNA)
where:
Base-Base interactions energy: -737.826
where: short stacking energy: -305.993
Base-Backbone interact. energy: -1.903
local terms energy: -308.928872
where:
bonds (distance) C4'-P energy: -51.682
bonds (distance) P-C4' energy: -65.610
flat angles C4'-P-C4' energy: -67.065
flat angles P-C4'-P energy: -37.699
tors. eta vs tors. theta energy: -86.873
Dist. restrs. and SS energy: 2.881 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -986.981688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.981688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.063924 (E_RNA)
where:
Base-Base interactions energy: -684.280
where: short stacking energy: -281.721
Base-Backbone interact. energy: -2.887
local terms energy: -304.896281
where:
bonds (distance) C4'-P energy: -62.571
bonds (distance) P-C4' energy: -58.925
flat angles C4'-P-C4' energy: -71.076
flat angles P-C4'-P energy: -42.336
tors. eta vs tors. theta energy: -69.989
Dist. restrs. and SS energy: 5.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -961.252747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.252747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.336927 (E_RNA)
where:
Base-Base interactions energy: -682.367
where: short stacking energy: -267.744
Base-Backbone interact. energy: -1.859
local terms energy: -282.110960
where:
bonds (distance) C4'-P energy: -63.513
bonds (distance) P-C4' energy: -48.837
flat angles C4'-P-C4' energy: -57.919
flat angles P-C4'-P energy: -41.355
tors. eta vs tors. theta energy: -70.486
Dist. restrs. and SS energy: 5.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -926.890391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.890391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.626046 (E_RNA)
where:
Base-Base interactions energy: -646.777
where: short stacking energy: -263.862
Base-Backbone interact. energy: 2.331
local terms energy: -293.179582
where:
bonds (distance) C4'-P energy: -63.111
bonds (distance) P-C4' energy: -56.764
flat angles C4'-P-C4' energy: -65.372
flat angles P-C4'-P energy: -42.767
tors. eta vs tors. theta energy: -65.166
Dist. restrs. and SS energy: 10.736 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -863.541771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.541771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.286404 (E_RNA)
where:
Base-Base interactions energy: -612.195
where: short stacking energy: -214.253
Base-Backbone interact. energy: -0.770
local terms energy: -258.321350
where:
bonds (distance) C4'-P energy: -53.527
bonds (distance) P-C4' energy: -58.018
flat angles C4'-P-C4' energy: -61.855
flat angles P-C4'-P energy: -33.057
tors. eta vs tors. theta energy: -51.865
Dist. restrs. and SS energy: 7.745 (S_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: 320
Temperature: 1.350000
Total energy: -803.912175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.912175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.024826 (E_RNA)
where:
Base-Base interactions energy: -563.501
where: short stacking energy: -213.272
Base-Backbone interact. energy: -2.259
local terms energy: -244.264749
where:
bonds (distance) C4'-P energy: -54.214
bonds (distance) P-C4' energy: -50.925
flat angles C4'-P-C4' energy: -58.636
flat angles P-C4'-P energy: -26.688
tors. eta vs tors. theta energy: -53.802
Dist. restrs. and SS energy: 6.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -1221.472924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.472924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.427925 (E_RNA)
where:
Base-Base interactions energy: -858.471
where: short stacking energy: -358.319
Base-Backbone interact. energy: -0.955
local terms energy: -365.001963
where:
bonds (distance) C4'-P energy: -67.652
bonds (distance) P-C4' energy: -62.259
flat angles C4'-P-C4' energy: -81.147
flat angles P-C4'-P energy: -49.493
tors. eta vs tors. theta energy: -104.450
Dist. restrs. and SS energy: 2.955 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -1150.079311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.079311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.419468 (E_RNA)
where:
Base-Base interactions energy: -797.586
where: short stacking energy: -338.914
Base-Backbone interact. energy: -3.487
local terms energy: -352.346366
where:
bonds (distance) C4'-P energy: -69.677
bonds (distance) P-C4' energy: -68.820
flat angles C4'-P-C4' energy: -72.517
flat angles P-C4'-P energy: -47.616
tors. eta vs tors. theta energy: -93.716
Dist. restrs. and SS energy: 3.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -1141.913032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.913032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.851548 (E_RNA)
where:
Base-Base interactions energy: -795.259
where: short stacking energy: -336.888
Base-Backbone interact. energy: -2.154
local terms energy: -347.438640
where:
bonds (distance) C4'-P energy: -60.278
bonds (distance) P-C4' energy: -64.023
flat angles C4'-P-C4' energy: -72.349
flat angles P-C4'-P energy: -49.491
tors. eta vs tors. theta energy: -101.297
Dist. restrs. and SS energy: 2.939 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -1080.304029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.304029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.692246 (E_RNA)
where:
Base-Base interactions energy: -754.601
where: short stacking energy: -294.644
Base-Backbone interact. energy: -4.705
local terms energy: -324.386504
where:
bonds (distance) C4'-P energy: -52.479
bonds (distance) P-C4' energy: -58.223
flat angles C4'-P-C4' energy: -75.236
flat angles P-C4'-P energy: -53.493
tors. eta vs tors. theta energy: -84.955
Dist. restrs. and SS energy: 3.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -1065.955045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.955045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.201813 (E_RNA)
where:
Base-Base interactions energy: -741.631
where: short stacking energy: -305.887
Base-Backbone interact. energy: 3.156
local terms energy: -330.727282
where:
bonds (distance) C4'-P energy: -67.877
bonds (distance) P-C4' energy: -57.488
flat angles C4'-P-C4' energy: -67.568
flat angles P-C4'-P energy: -46.789
tors. eta vs tors. theta energy: -91.005
Dist. restrs. and SS energy: 3.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -987.094019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.094019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.435678 (E_RNA)
where:
Base-Base interactions energy: -696.815
where: short stacking energy: -273.619
Base-Backbone interact. energy: -1.973
local terms energy: -291.647404
where:
bonds (distance) C4'-P energy: -53.569
bonds (distance) P-C4' energy: -61.531
flat angles C4'-P-C4' energy: -58.173
flat angles P-C4'-P energy: -43.565
tors. eta vs tors. theta energy: -74.809
Dist. restrs. and SS energy: 3.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -951.738163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.738163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.447520 (E_RNA)
where:
Base-Base interactions energy: -659.556
where: short stacking energy: -269.059
Base-Backbone interact. energy: 0.629
local terms energy: -300.520692
where:
bonds (distance) C4'-P energy: -47.695
bonds (distance) P-C4' energy: -62.765
flat angles C4'-P-C4' energy: -72.932
flat angles P-C4'-P energy: -39.030
tors. eta vs tors. theta energy: -78.099
Dist. restrs. and SS energy: 7.709 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -909.969610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.969610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.528159 (E_RNA)
where:
Base-Base interactions energy: -635.686
where: short stacking energy: -259.178
Base-Backbone interact. energy: -4.021
local terms energy: -278.820902
where:
bonds (distance) C4'-P energy: -56.002
bonds (distance) P-C4' energy: -50.536
flat angles C4'-P-C4' energy: -63.662
flat angles P-C4'-P energy: -40.526
tors. eta vs tors. theta energy: -68.095
Dist. restrs. and SS energy: 8.559 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -871.281605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.281605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.268935 (E_RNA)
where:
Base-Base interactions energy: -624.947
where: short stacking energy: -255.261
Base-Backbone interact. energy: -1.450
local terms energy: -254.871826
where:
bonds (distance) C4'-P energy: -45.684
bonds (distance) P-C4' energy: -58.289
flat angles C4'-P-C4' energy: -47.603
flat angles P-C4'-P energy: -39.862
tors. eta vs tors. theta energy: -63.434
Dist. restrs. and SS energy: 9.987 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -842.450170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.450170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.324564 (E_RNA)
where:
Base-Base interactions energy: -570.856
where: short stacking energy: -237.229
Base-Backbone interact. energy: 0.543
local terms energy: -279.012056
where:
bonds (distance) C4'-P energy: -61.311
bonds (distance) P-C4' energy: -50.612
flat angles C4'-P-C4' energy: -65.151
flat angles P-C4'-P energy: -40.433
tors. eta vs tors. theta energy: -61.505
Dist. restrs. and SS energy: 6.874 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -1181.057815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.057815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.661086 (E_RNA)
where:
Base-Base interactions energy: -811.822
where: short stacking energy: -339.255
Base-Backbone interact. energy: -1.358
local terms energy: -371.480411
where:
bonds (distance) C4'-P energy: -74.601
bonds (distance) P-C4' energy: -76.769
flat angles C4'-P-C4' energy: -67.765
flat angles P-C4'-P energy: -51.770
tors. eta vs tors. theta energy: -100.575
Dist. restrs. and SS energy: 3.603 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -1183.143477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.143477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.795620 (E_RNA)
where:
Base-Base interactions energy: -819.743
where: short stacking energy: -342.106
Base-Backbone interact. energy: 0.046
local terms energy: -367.098384
where:
bonds (distance) C4'-P energy: -76.679
bonds (distance) P-C4' energy: -68.624
flat angles C4'-P-C4' energy: -67.305
flat angles P-C4'-P energy: -54.875
tors. eta vs tors. theta energy: -99.616
Dist. restrs. and SS energy: 3.652 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -1133.433899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.433899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.895967 (E_RNA)
where:
Base-Base interactions energy: -798.455
where: short stacking energy: -327.075
Base-Backbone interact. energy: 3.006
local terms energy: -341.447508
where:
bonds (distance) C4'-P energy: -56.910
bonds (distance) P-C4' energy: -64.942
flat angles C4'-P-C4' energy: -76.351
flat angles P-C4'-P energy: -46.894
tors. eta vs tors. theta energy: -96.350
Dist. restrs. and SS energy: 3.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -1086.122466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.122466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.531870 (E_RNA)
where:
Base-Base interactions energy: -749.212
where: short stacking energy: -304.968
Base-Backbone interact. energy: -0.574
local terms energy: -339.745683
where:
bonds (distance) C4'-P energy: -60.122
bonds (distance) P-C4' energy: -63.264
flat angles C4'-P-C4' energy: -71.363
flat angles P-C4'-P energy: -63.293
tors. eta vs tors. theta energy: -81.704
Dist. restrs. and SS energy: 3.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -1072.025992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.025992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.173951 (E_RNA)
where:
Base-Base interactions energy: -757.786
where: short stacking energy: -297.462
Base-Backbone interact. energy: -2.136
local terms energy: -315.251784
where:
bonds (distance) C4'-P energy: -51.942
bonds (distance) P-C4' energy: -58.859
flat angles C4'-P-C4' energy: -76.182
flat angles P-C4'-P energy: -49.417
tors. eta vs tors. theta energy: -78.852
Dist. restrs. and SS energy: 3.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -995.283383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.283383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.434041 (E_RNA)
where:
Base-Base interactions energy: -693.100
where: short stacking energy: -275.355
Base-Backbone interact. energy: -1.604
local terms energy: -308.729805
where:
bonds (distance) C4'-P energy: -60.400
bonds (distance) P-C4' energy: -69.197
flat angles C4'-P-C4' energy: -65.566
flat angles P-C4'-P energy: -40.920
tors. eta vs tors. theta energy: -72.646
Dist. restrs. and SS energy: 8.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -943.074807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.074807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.029623 (E_RNA)
where:
Base-Base interactions energy: -652.475
where: short stacking energy: -260.779
Base-Backbone interact. energy: -3.121
local terms energy: -292.433309
where:
bonds (distance) C4'-P energy: -66.409
bonds (distance) P-C4' energy: -61.755
flat angles C4'-P-C4' energy: -61.082
flat angles P-C4'-P energy: -38.757
tors. eta vs tors. theta energy: -64.431
Dist. restrs. and SS energy: 4.955 (S_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: 322
Temperature: 1.250000
Total energy: -944.228323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.228323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.502508 (E_RNA)
where:
Base-Base interactions energy: -647.248
where: short stacking energy: -253.407
Base-Backbone interact. energy: -0.685
local terms energy: -300.569607
where:
bonds (distance) C4'-P energy: -65.965
bonds (distance) P-C4' energy: -60.333
flat angles C4'-P-C4' energy: -66.106
flat angles P-C4'-P energy: -38.910
tors. eta vs tors. theta energy: -69.256
Dist. restrs. and SS energy: 4.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -910.996309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.996309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.017879 (E_RNA)
where:
Base-Base interactions energy: -651.921
where: short stacking energy: -256.582
Base-Backbone interact. energy: -1.130
local terms energy: -261.967048
where:
bonds (distance) C4'-P energy: -48.061
bonds (distance) P-C4' energy: -56.570
flat angles C4'-P-C4' energy: -58.902
flat angles P-C4'-P energy: -42.349
tors. eta vs tors. theta energy: -56.086
Dist. restrs. and SS energy: 4.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -832.837647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.837647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.669104 (E_RNA)
where:
Base-Base interactions energy: -576.186
where: short stacking energy: -223.954
Base-Backbone interact. energy: 2.357
local terms energy: -268.841010
where:
bonds (distance) C4'-P energy: -58.001
bonds (distance) P-C4' energy: -51.382
flat angles C4'-P-C4' energy: -54.893
flat angles P-C4'-P energy: -50.614
tors. eta vs tors. theta energy: -53.952
Dist. restrs. and SS energy: 9.831 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -1177.544091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.544091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.686138 (E_RNA)
where:
Base-Base interactions energy: -810.084
where: short stacking energy: -347.397
Base-Backbone interact. energy: 1.522
local terms energy: -372.123667
where:
bonds (distance) C4'-P energy: -70.173
bonds (distance) P-C4' energy: -69.927
flat angles C4'-P-C4' energy: -68.015
flat angles P-C4'-P energy: -60.911
tors. eta vs tors. theta energy: -103.098
Dist. restrs. and SS energy: 3.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -1187.302195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.302195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.891737 (E_RNA)
where:
Base-Base interactions energy: -832.243
where: short stacking energy: -339.942
Base-Backbone interact. energy: -1.696
local terms energy: -355.952844
where:
bonds (distance) C4'-P energy: -63.052
bonds (distance) P-C4' energy: -59.246
flat angles C4'-P-C4' energy: -79.537
flat angles P-C4'-P energy: -52.366
tors. eta vs tors. theta energy: -101.751
Dist. restrs. and SS energy: 2.590 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -1118.782011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.782011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.058669 (E_RNA)
where:
Base-Base interactions energy: -758.985
where: short stacking energy: -323.596
Base-Backbone interact. energy: -1.236
local terms energy: -361.838148
where:
bonds (distance) C4'-P energy: -63.159
bonds (distance) P-C4' energy: -73.841
flat angles C4'-P-C4' energy: -74.869
flat angles P-C4'-P energy: -53.177
tors. eta vs tors. theta energy: -96.792
Dist. restrs. and SS energy: 3.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -1090.682201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.682201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.381944 (E_RNA)
where:
Base-Base interactions energy: -780.579
where: short stacking energy: -316.972
Base-Backbone interact. energy: -3.024
local terms energy: -309.778366
where:
bonds (distance) C4'-P energy: -56.296
bonds (distance) P-C4' energy: -45.946
flat angles C4'-P-C4' energy: -78.644
flat angles P-C4'-P energy: -48.810
tors. eta vs tors. theta energy: -80.083
Dist. restrs. and SS energy: 2.700 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -1050.959317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.959317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.868736 (E_RNA)
where:
Base-Base interactions energy: -715.783
where: short stacking energy: -291.966
Base-Backbone interact. energy: -2.339
local terms energy: -335.746915
where:
bonds (distance) C4'-P energy: -72.563
bonds (distance) P-C4' energy: -66.300
flat angles C4'-P-C4' energy: -73.110
flat angles P-C4'-P energy: -50.300
tors. eta vs tors. theta energy: -73.474
Dist. restrs. and SS energy: 2.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -996.632668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.632668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.992320 (E_RNA)
where:
Base-Base interactions energy: -700.290
where: short stacking energy: -280.691
Base-Backbone interact. energy: -1.866
local terms energy: -301.836230
where:
bonds (distance) C4'-P energy: -53.689
bonds (distance) P-C4' energy: -68.431
flat angles C4'-P-C4' energy: -53.601
flat angles P-C4'-P energy: -48.553
tors. eta vs tors. theta energy: -77.563
Dist. restrs. and SS energy: 7.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -906.240599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.240599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.823686 (E_RNA)
where:
Base-Base interactions energy: -632.965
where: short stacking energy: -243.966
Base-Backbone interact. energy: -2.507
local terms energy: -275.351103
where:
bonds (distance) C4'-P energy: -57.701
bonds (distance) P-C4' energy: -57.252
flat angles C4'-P-C4' energy: -57.066
flat angles P-C4'-P energy: -42.693
tors. eta vs tors. theta energy: -60.639
Dist. restrs. and SS energy: 4.583 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -927.940475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.940475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.575479 (E_RNA)
where:
Base-Base interactions energy: -667.566
where: short stacking energy: -271.374
Base-Backbone interact. energy: 1.604
local terms energy: -273.612796
where:
bonds (distance) C4'-P energy: -44.546
bonds (distance) P-C4' energy: -54.655
flat angles C4'-P-C4' energy: -63.775
flat angles P-C4'-P energy: -33.971
tors. eta vs tors. theta energy: -76.666
Dist. restrs. and SS energy: 11.635 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -916.186175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.186175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.381585 (E_RNA)
where:
Base-Base interactions energy: -649.326
where: short stacking energy: -265.287
Base-Backbone interact. energy: 0.633
local terms energy: -272.688141
where:
bonds (distance) C4'-P energy: -55.537
bonds (distance) P-C4' energy: -56.487
flat angles C4'-P-C4' energy: -56.554
flat angles P-C4'-P energy: -34.191
tors. eta vs tors. theta energy: -69.919
Dist. restrs. and SS energy: 5.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -826.080728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.080728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.564673 (E_RNA)
where:
Base-Base interactions energy: -597.294
where: short stacking energy: -241.120
Base-Backbone interact. energy: -0.969
local terms energy: -240.301243
where:
bonds (distance) C4'-P energy: -51.362
bonds (distance) P-C4' energy: -49.150
flat angles C4'-P-C4' energy: -52.631
flat angles P-C4'-P energy: -28.972
tors. eta vs tors. theta energy: -58.186
Dist. restrs. and SS energy: 12.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -1203.252366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.252366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.333586 (E_RNA)
where:
Base-Base interactions energy: -832.537
where: short stacking energy: -348.871
Base-Backbone interact. energy: -1.884
local terms energy: -371.912361
where:
bonds (distance) C4'-P energy: -60.247
bonds (distance) P-C4' energy: -74.515
flat angles C4'-P-C4' energy: -79.906
flat angles P-C4'-P energy: -57.309
tors. eta vs tors. theta energy: -99.936
Dist. restrs. and SS energy: 3.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -1152.000407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.000407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.099110 (E_RNA)
where:
Base-Base interactions energy: -794.614
where: short stacking energy: -337.087
Base-Backbone interact. energy: -1.886
local terms energy: -359.599840
where:
bonds (distance) C4'-P energy: -58.785
bonds (distance) P-C4' energy: -68.665
flat angles C4'-P-C4' energy: -82.488
flat angles P-C4'-P energy: -56.278
tors. eta vs tors. theta energy: -93.384
Dist. restrs. and SS energy: 4.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -1116.394450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.394450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.972140 (E_RNA)
where:
Base-Base interactions energy: -774.356
where: short stacking energy: -311.592
Base-Backbone interact. energy: -1.278
local terms energy: -344.338017
where:
bonds (distance) C4'-P energy: -68.363
bonds (distance) P-C4' energy: -63.105
flat angles C4'-P-C4' energy: -72.101
flat angles P-C4'-P energy: -52.270
tors. eta vs tors. theta energy: -88.499
Dist. restrs. and SS energy: 3.578 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -1079.539821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.539821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.425967 (E_RNA)
where:
Base-Base interactions energy: -747.858
where: short stacking energy: -288.569
Base-Backbone interact. energy: -2.270
local terms energy: -332.297575
where:
bonds (distance) C4'-P energy: -71.281
bonds (distance) P-C4' energy: -68.134
flat angles C4'-P-C4' energy: -74.420
flat angles P-C4'-P energy: -49.348
tors. eta vs tors. theta energy: -69.115
Dist. restrs. and SS energy: 2.886 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -1060.128793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.128793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.883188 (E_RNA)
where:
Base-Base interactions energy: -742.812
where: short stacking energy: -295.974
Base-Backbone interact. energy: -1.704
local terms energy: -318.367559
where:
bonds (distance) C4'-P energy: -69.176
bonds (distance) P-C4' energy: -70.245
flat angles C4'-P-C4' energy: -66.353
flat angles P-C4'-P energy: -33.439
tors. eta vs tors. theta energy: -79.154
Dist. restrs. and SS energy: 2.754 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -1034.660901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.660901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.195657 (E_RNA)
where:
Base-Base interactions energy: -725.469
where: short stacking energy: -292.553
Base-Backbone interact. energy: -1.670
local terms energy: -313.057373
where:
bonds (distance) C4'-P energy: -53.164
bonds (distance) P-C4' energy: -67.075
flat angles C4'-P-C4' energy: -70.687
flat angles P-C4'-P energy: -38.388
tors. eta vs tors. theta energy: -83.743
Dist. restrs. and SS energy: 5.535 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -963.678574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.678574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.900219 (E_RNA)
where:
Base-Base interactions energy: -688.164
where: short stacking energy: -287.405
Base-Backbone interact. energy: 2.007
local terms energy: -285.743630
where:
bonds (distance) C4'-P energy: -57.105
bonds (distance) P-C4' energy: -52.907
flat angles C4'-P-C4' energy: -67.277
flat angles P-C4'-P energy: -36.752
tors. eta vs tors. theta energy: -71.702
Dist. restrs. and SS energy: 8.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -865.777822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.777822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.654690 (E_RNA)
where:
Base-Base interactions energy: -617.556
where: short stacking energy: -256.240
Base-Backbone interact. energy: -0.971
local terms energy: -252.128207
where:
bonds (distance) C4'-P energy: -37.094
bonds (distance) P-C4' energy: -56.065
flat angles C4'-P-C4' energy: -55.080
flat angles P-C4'-P energy: -49.786
tors. eta vs tors. theta energy: -54.103
Dist. restrs. and SS energy: 4.877 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -810.514415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.514415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.648542 (E_RNA)
where:
Base-Base interactions energy: -561.625
where: short stacking energy: -223.996
Base-Backbone interact. energy: -1.590
local terms energy: -260.433773
where:
bonds (distance) C4'-P energy: -51.173
bonds (distance) P-C4' energy: -63.094
flat angles C4'-P-C4' energy: -62.697
flat angles P-C4'-P energy: -34.197
tors. eta vs tors. theta energy: -49.273
Dist. restrs. and SS energy: 13.134 (S_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: 324
Temperature: 1.350000
Total energy: -866.124670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.124670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.985927 (E_RNA)
where:
Base-Base interactions energy: -604.144
where: short stacking energy: -256.092
Base-Backbone interact. energy: -1.449
local terms energy: -270.392325
where:
bonds (distance) C4'-P energy: -56.822
bonds (distance) P-C4' energy: -52.556
flat angles C4'-P-C4' energy: -61.051
flat angles P-C4'-P energy: -49.035
tors. eta vs tors. theta energy: -50.928
Dist. restrs. and SS energy: 9.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -1208.824464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.824464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.122072 (E_RNA)
where:
Base-Base interactions energy: -850.267
where: short stacking energy: -363.500
Base-Backbone interact. energy: -2.537
local terms energy: -359.317763
where:
bonds (distance) C4'-P energy: -61.833
bonds (distance) P-C4' energy: -65.440
flat angles C4'-P-C4' energy: -72.597
flat angles P-C4'-P energy: -54.703
tors. eta vs tors. theta energy: -104.745
Dist. restrs. and SS energy: 3.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -1150.514380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.514380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.712795 (E_RNA)
where:
Base-Base interactions energy: -796.839
where: short stacking energy: -322.141
Base-Backbone interact. energy: -4.548
local terms energy: -352.326125
where:
bonds (distance) C4'-P energy: -63.461
bonds (distance) P-C4' energy: -67.490
flat angles C4'-P-C4' energy: -75.787
flat angles P-C4'-P energy: -53.430
tors. eta vs tors. theta energy: -92.159
Dist. restrs. and SS energy: 3.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -1146.740326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.740326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.626857 (E_RNA)
where:
Base-Base interactions energy: -801.567
where: short stacking energy: -331.348
Base-Backbone interact. energy: -1.127
local terms energy: -346.932904
where:
bonds (distance) C4'-P energy: -65.871
bonds (distance) P-C4' energy: -66.104
flat angles C4'-P-C4' energy: -73.335
flat angles P-C4'-P energy: -47.442
tors. eta vs tors. theta energy: -94.181
Dist. restrs. and SS energy: 2.887 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -1090.825987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.825987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.288256 (E_RNA)
where:
Base-Base interactions energy: -770.163
where: short stacking energy: -305.400
Base-Backbone interact. energy: -1.891
local terms energy: -322.235104
where:
bonds (distance) C4'-P energy: -72.542
bonds (distance) P-C4' energy: -54.245
flat angles C4'-P-C4' energy: -68.129
flat angles P-C4'-P energy: -52.868
tors. eta vs tors. theta energy: -74.452
Dist. restrs. and SS energy: 3.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -1040.602724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.602724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.556534 (E_RNA)
where:
Base-Base interactions energy: -745.114
where: short stacking energy: -286.755
Base-Backbone interact. energy: -1.871
local terms energy: -296.571446
where:
bonds (distance) C4'-P energy: -54.009
bonds (distance) P-C4' energy: -71.379
flat angles C4'-P-C4' energy: -53.538
flat angles P-C4'-P energy: -39.665
tors. eta vs tors. theta energy: -77.981
Dist. restrs. and SS energy: 2.954 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -1002.851612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.851612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.571429 (E_RNA)
where:
Base-Base interactions energy: -695.603
where: short stacking energy: -277.891
Base-Backbone interact. energy: -2.571
local terms energy: -308.397545
where:
bonds (distance) C4'-P energy: -60.901
bonds (distance) P-C4' energy: -54.210
flat angles C4'-P-C4' energy: -73.636
flat angles P-C4'-P energy: -37.050
tors. eta vs tors. theta energy: -82.601
Dist. restrs. and SS energy: 3.720 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -974.387338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.387338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.634382 (E_RNA)
where:
Base-Base interactions energy: -697.970
where: short stacking energy: -276.207
Base-Backbone interact. energy: -1.320
local terms energy: -282.343935
where:
bonds (distance) C4'-P energy: -45.691
bonds (distance) P-C4' energy: -54.834
flat angles C4'-P-C4' energy: -60.550
flat angles P-C4'-P energy: -51.002
tors. eta vs tors. theta energy: -70.267
Dist. restrs. and SS energy: 7.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -886.649596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.649596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.548264 (E_RNA)
where:
Base-Base interactions energy: -594.840
where: short stacking energy: -224.098
Base-Backbone interact. energy: -0.065
local terms energy: -295.643245
where:
bonds (distance) C4'-P energy: -69.455
bonds (distance) P-C4' energy: -62.943
flat angles C4'-P-C4' energy: -65.379
flat angles P-C4'-P energy: -47.584
tors. eta vs tors. theta energy: -50.282
Dist. restrs. and SS energy: 3.899 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -846.842147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.842147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.641493 (E_RNA)
where:
Base-Base interactions energy: -589.522
where: short stacking energy: -239.326
Base-Backbone interact. energy: -1.045
local terms energy: -265.075462
where:
bonds (distance) C4'-P energy: -61.766
bonds (distance) P-C4' energy: -59.494
flat angles C4'-P-C4' energy: -62.788
flat angles P-C4'-P energy: -25.325
tors. eta vs tors. theta energy: -55.702
Dist. restrs. and SS energy: 8.799 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -893.887385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.887385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.931514 (E_RNA)
where:
Base-Base interactions energy: -622.725
where: short stacking energy: -257.325
Base-Backbone interact. energy: -0.751
local terms energy: -277.454778
where:
bonds (distance) C4'-P energy: -57.712
bonds (distance) P-C4' energy: -50.660
flat angles C4'-P-C4' energy: -55.862
flat angles P-C4'-P energy: -44.272
tors. eta vs tors. theta energy: -68.949
Dist. restrs. and SS energy: 7.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -1214.572585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.572585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.326563 (E_RNA)
where:
Base-Base interactions energy: -842.995
where: short stacking energy: -356.875
Base-Backbone interact. energy: -1.779
local terms energy: -372.552430
where:
bonds (distance) C4'-P energy: -73.376
bonds (distance) P-C4' energy: -73.766
flat angles C4'-P-C4' energy: -76.417
flat angles P-C4'-P energy: -51.141
tors. eta vs tors. theta energy: -97.852
Dist. restrs. and SS energy: 2.754 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -1159.818767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.818767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.703477 (E_RNA)
where:
Base-Base interactions energy: -814.716
where: short stacking energy: -340.412
Base-Backbone interact. energy: -2.788
local terms energy: -346.199094
where:
bonds (distance) C4'-P energy: -61.012
bonds (distance) P-C4' energy: -72.288
flat angles C4'-P-C4' energy: -70.165
flat angles P-C4'-P energy: -47.343
tors. eta vs tors. theta energy: -95.391
Dist. restrs. and SS energy: 3.885 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -1156.530956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.530956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.605793 (E_RNA)
where:
Base-Base interactions energy: -805.599
where: short stacking energy: -318.733
Base-Backbone interact. energy: -2.756
local terms energy: -351.251294
where:
bonds (distance) C4'-P energy: -68.819
bonds (distance) P-C4' energy: -60.720
flat angles C4'-P-C4' energy: -76.188
flat angles P-C4'-P energy: -46.344
tors. eta vs tors. theta energy: -99.180
Dist. restrs. and SS energy: 3.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -1090.881163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.881163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.455081 (E_RNA)
where:
Base-Base interactions energy: -756.821
where: short stacking energy: -310.275
Base-Backbone interact. energy: -1.158
local terms energy: -335.476320
where:
bonds (distance) C4'-P energy: -64.358
bonds (distance) P-C4' energy: -68.191
flat angles C4'-P-C4' energy: -77.810
flat angles P-C4'-P energy: -43.066
tors. eta vs tors. theta energy: -82.051
Dist. restrs. and SS energy: 2.574 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -1027.096098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.096098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.228152 (E_RNA)
where:
Base-Base interactions energy: -719.451
where: short stacking energy: -295.809
Base-Backbone interact. energy: -1.414
local terms energy: -309.363329
where:
bonds (distance) C4'-P energy: -51.356
bonds (distance) P-C4' energy: -58.334
flat angles C4'-P-C4' energy: -66.984
flat angles P-C4'-P energy: -46.424
tors. eta vs tors. theta energy: -86.265
Dist. restrs. and SS energy: 3.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -1016.665684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.665684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.178152 (E_RNA)
where:
Base-Base interactions energy: -721.743
where: short stacking energy: -272.462
Base-Backbone interact. energy: 1.233
local terms energy: -300.667928
where:
bonds (distance) C4'-P energy: -57.959
bonds (distance) P-C4' energy: -59.845
flat angles C4'-P-C4' energy: -67.169
flat angles P-C4'-P energy: -48.696
tors. eta vs tors. theta energy: -67.000
Dist. restrs. and SS energy: 4.512 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -947.801355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.801355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.680784 (E_RNA)
where:
Base-Base interactions energy: -678.857
where: short stacking energy: -266.672
Base-Backbone interact. energy: 0.479
local terms energy: -277.302481
where:
bonds (distance) C4'-P energy: -53.659
bonds (distance) P-C4' energy: -47.348
flat angles C4'-P-C4' energy: -61.371
flat angles P-C4'-P energy: -45.057
tors. eta vs tors. theta energy: -69.867
Dist. restrs. and SS energy: 7.879 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -868.847287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.847287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.261917 (E_RNA)
where:
Base-Base interactions energy: -590.658
where: short stacking energy: -225.033
Base-Backbone interact. energy: -1.892
local terms energy: -283.712296
where:
bonds (distance) C4'-P energy: -60.559
bonds (distance) P-C4' energy: -58.045
flat angles C4'-P-C4' energy: -63.686
flat angles P-C4'-P energy: -46.266
tors. eta vs tors. theta energy: -55.156
Dist. restrs. and SS energy: 7.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -932.338608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.338608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.795119 (E_RNA)
where:
Base-Base interactions energy: -682.212
where: short stacking energy: -274.077
Base-Backbone interact. energy: 2.742
local terms energy: -258.324674
where:
bonds (distance) C4'-P energy: -34.533
bonds (distance) P-C4' energy: -55.243
flat angles C4'-P-C4' energy: -53.598
flat angles P-C4'-P energy: -45.878
tors. eta vs tors. theta energy: -69.072
Dist. restrs. and SS energy: 5.457 (S_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: 326
Temperature: 1.350000
Total energy: -791.768762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.768762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.291184 (E_RNA)
where:
Base-Base interactions energy: -550.581
where: short stacking energy: -216.484
Base-Backbone interact. energy: -1.379
local terms energy: -249.331288
where:
bonds (distance) C4'-P energy: -53.799
bonds (distance) P-C4' energy: -52.500
flat angles C4'-P-C4' energy: -63.039
flat angles P-C4'-P energy: -30.695
tors. eta vs tors. theta energy: -49.299
Dist. restrs. and SS energy: 9.522 (S_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: 327
Temperature: 0.900000
Total energy: -1214.942660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.942660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.099619 (E_RNA)
where:
Base-Base interactions energy: -854.139
where: short stacking energy: -352.429
Base-Backbone interact. energy: -2.995
local terms energy: -360.966042
where:
bonds (distance) C4'-P energy: -68.290
bonds (distance) P-C4' energy: -63.894
flat angles C4'-P-C4' energy: -72.107
flat angles P-C4'-P energy: -56.507
tors. eta vs tors. theta energy: -100.168
Dist. restrs. and SS energy: 3.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -1199.310417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.310417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.738019 (E_RNA)
where:
Base-Base interactions energy: -846.846
where: short stacking energy: -347.488
Base-Backbone interact. energy: -2.544
local terms energy: -354.348802
where:
bonds (distance) C4'-P energy: -62.485
bonds (distance) P-C4' energy: -63.338
flat angles C4'-P-C4' energy: -78.549
flat angles P-C4'-P energy: -57.012
tors. eta vs tors. theta energy: -92.964
Dist. restrs. and SS energy: 4.428 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -1150.473991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.473991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.619901 (E_RNA)
where:
Base-Base interactions energy: -813.800
where: short stacking energy: -321.978
Base-Backbone interact. energy: -1.977
local terms energy: -337.843389
where:
bonds (distance) C4'-P energy: -63.391
bonds (distance) P-C4' energy: -59.078
flat angles C4'-P-C4' energy: -75.109
flat angles P-C4'-P energy: -49.845
tors. eta vs tors. theta energy: -90.420
Dist. restrs. and SS energy: 3.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -1058.713851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.713851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.663217 (E_RNA)
where:
Base-Base interactions energy: -736.774
where: short stacking energy: -301.488
Base-Backbone interact. energy: -3.065
local terms energy: -321.823926
where:
bonds (distance) C4'-P energy: -59.523
bonds (distance) P-C4' energy: -64.801
flat angles C4'-P-C4' energy: -66.007
flat angles P-C4'-P energy: -46.550
tors. eta vs tors. theta energy: -84.943
Dist. restrs. and SS energy: 2.949 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -1054.861902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.861902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.346599 (E_RNA)
where:
Base-Base interactions energy: -720.304
where: short stacking energy: -288.965
Base-Backbone interact. energy: -2.305
local terms energy: -335.737097
where:
bonds (distance) C4'-P energy: -64.158
bonds (distance) P-C4' energy: -76.868
flat angles C4'-P-C4' energy: -71.359
flat angles P-C4'-P energy: -45.799
tors. eta vs tors. theta energy: -77.553
Dist. restrs. and SS energy: 3.485 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -997.965418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.965418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.266476 (E_RNA)
where:
Base-Base interactions energy: -712.083
where: short stacking energy: -265.055
Base-Backbone interact. energy: -0.473
local terms energy: -288.710113
where:
bonds (distance) C4'-P energy: -51.638
bonds (distance) P-C4' energy: -61.433
flat angles C4'-P-C4' energy: -59.307
flat angles P-C4'-P energy: -49.798
tors. eta vs tors. theta energy: -66.534
Dist. restrs. and SS energy: 3.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -962.044515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.044515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.908802 (E_RNA)
where:
Base-Base interactions energy: -676.185
where: short stacking energy: -275.755
Base-Backbone interact. energy: -0.658
local terms energy: -294.065608
where:
bonds (distance) C4'-P energy: -47.954
bonds (distance) P-C4' energy: -72.589
flat angles C4'-P-C4' energy: -64.037
flat angles P-C4'-P energy: -40.644
tors. eta vs tors. theta energy: -68.842
Dist. restrs. and SS energy: 8.864 (S_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: 327
Temperature: 1.250000
Total energy: -936.723424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.723424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.758532 (E_RNA)
where:
Base-Base interactions energy: -654.339
where: short stacking energy: -261.600
Base-Backbone interact. energy: -1.613
local terms energy: -284.806155
where:
bonds (distance) C4'-P energy: -61.729
bonds (distance) P-C4' energy: -65.049
flat angles C4'-P-C4' energy: -65.912
flat angles P-C4'-P energy: -26.399
tors. eta vs tors. theta energy: -65.717
Dist. restrs. and SS energy: 4.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -871.808352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.808352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.545412 (E_RNA)
where:
Base-Base interactions energy: -620.641
where: short stacking energy: -238.350
Base-Backbone interact. energy: 1.247
local terms energy: -258.151462
where:
bonds (distance) C4'-P energy: -52.492
bonds (distance) P-C4' energy: -43.000
flat angles C4'-P-C4' energy: -61.447
flat angles P-C4'-P energy: -44.917
tors. eta vs tors. theta energy: -56.295
Dist. restrs. and SS energy: 5.737 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -800.471284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.471284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.484557 (E_RNA)
where:
Base-Base interactions energy: -577.915
where: short stacking energy: -240.383
Base-Backbone interact. energy: -2.236
local terms energy: -230.333246
where:
bonds (distance) C4'-P energy: -50.156
bonds (distance) P-C4' energy: -47.045
flat angles C4'-P-C4' energy: -52.905
flat angles P-C4'-P energy: -26.975
tors. eta vs tors. theta energy: -53.252
Dist. restrs. and SS energy: 10.013 (S_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: 328
Temperature: 0.900000
Total energy: -1227.878744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.878744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.798776 (E_RNA)
where:
Base-Base interactions energy: -857.550
where: short stacking energy: -353.741
Base-Backbone interact. energy: -1.008
local terms energy: -372.240516
where:
bonds (distance) C4'-P energy: -58.839
bonds (distance) P-C4' energy: -79.823
flat angles C4'-P-C4' energy: -71.064
flat angles P-C4'-P energy: -58.759
tors. eta vs tors. theta energy: -103.755
Dist. restrs. and SS energy: 2.920 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -1185.539634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.539634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.764468 (E_RNA)
where:
Base-Base interactions energy: -838.740
where: short stacking energy: -347.062
Base-Backbone interact. energy: -0.929
local terms energy: -350.095032
where:
bonds (distance) C4'-P energy: -65.351
bonds (distance) P-C4' energy: -67.970
flat angles C4'-P-C4' energy: -66.532
flat angles P-C4'-P energy: -55.810
tors. eta vs tors. theta energy: -94.433
Dist. restrs. and SS energy: 4.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -1145.372966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.372966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.653728 (E_RNA)
where:
Base-Base interactions energy: -811.649
where: short stacking energy: -329.809
Base-Backbone interact. energy: -1.500
local terms energy: -335.504900
where:
bonds (distance) C4'-P energy: -50.804
bonds (distance) P-C4' energy: -67.397
flat angles C4'-P-C4' energy: -72.886
flat angles P-C4'-P energy: -42.610
tors. eta vs tors. theta energy: -101.807
Dist. restrs. and SS energy: 3.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -1082.450661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.450661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.535546 (E_RNA)
where:
Base-Base interactions energy: -765.956
where: short stacking energy: -307.225
Base-Backbone interact. energy: -0.864
local terms energy: -319.715653
where:
bonds (distance) C4'-P energy: -64.078
bonds (distance) P-C4' energy: -56.079
flat angles C4'-P-C4' energy: -72.602
flat angles P-C4'-P energy: -40.487
tors. eta vs tors. theta energy: -86.470
Dist. restrs. and SS energy: 4.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -1023.229075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.229075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.648398 (E_RNA)
where:
Base-Base interactions energy: -724.159
where: short stacking energy: -287.895
Base-Backbone interact. energy: -2.366
local terms energy: -301.122607
where:
bonds (distance) C4'-P energy: -65.612
bonds (distance) P-C4' energy: -53.169
flat angles C4'-P-C4' energy: -63.366
flat angles P-C4'-P energy: -43.690
tors. eta vs tors. theta energy: -75.285
Dist. restrs. and SS energy: 4.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -999.460342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.460342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.415233 (E_RNA)
where:
Base-Base interactions energy: -689.027
where: short stacking energy: -273.966
Base-Backbone interact. energy: -1.450
local terms energy: -311.938311
where:
bonds (distance) C4'-P energy: -60.600
bonds (distance) P-C4' energy: -68.233
flat angles C4'-P-C4' energy: -62.139
flat angles P-C4'-P energy: -45.786
tors. eta vs tors. theta energy: -75.180
Dist. restrs. and SS energy: 2.955 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -986.850499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.850499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.903463 (E_RNA)
where:
Base-Base interactions energy: -704.722
where: short stacking energy: -276.456
Base-Backbone interact. energy: -2.107
local terms energy: -284.075062
where:
bonds (distance) C4'-P energy: -47.444
bonds (distance) P-C4' energy: -60.144
flat angles C4'-P-C4' energy: -58.411
flat angles P-C4'-P energy: -43.702
tors. eta vs tors. theta energy: -74.374
Dist. restrs. and SS energy: 4.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -918.622647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.622647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.095899 (E_RNA)
where:
Base-Base interactions energy: -663.943
where: short stacking energy: -262.180
Base-Backbone interact. energy: 6.604
local terms energy: -265.757030
where:
bonds (distance) C4'-P energy: -53.289
bonds (distance) P-C4' energy: -56.748
flat angles C4'-P-C4' energy: -48.733
flat angles P-C4'-P energy: -39.877
tors. eta vs tors. theta energy: -67.110
Dist. restrs. and SS energy: 4.473 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -878.077429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.077429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.979952 (E_RNA)
where:
Base-Base interactions energy: -622.334
where: short stacking energy: -239.199
Base-Backbone interact. energy: 5.107
local terms energy: -265.752236
where:
bonds (distance) C4'-P energy: -64.012
bonds (distance) P-C4' energy: -48.916
flat angles C4'-P-C4' energy: -57.679
flat angles P-C4'-P energy: -36.272
tors. eta vs tors. theta energy: -58.873
Dist. restrs. and SS energy: 4.903 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -784.955147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.955147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.015433 (E_RNA)
where:
Base-Base interactions energy: -555.443
where: short stacking energy: -216.117
Base-Backbone interact. energy: 1.666
local terms energy: -245.238752
where:
bonds (distance) C4'-P energy: -50.178
bonds (distance) P-C4' energy: -52.501
flat angles C4'-P-C4' energy: -62.183
flat angles P-C4'-P energy: -34.927
tors. eta vs tors. theta energy: -45.450
Dist. restrs. and SS energy: 14.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -1207.484842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.484842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.965455 (E_RNA)
where:
Base-Base interactions energy: -835.820
where: short stacking energy: -353.128
Base-Backbone interact. energy: -1.332
local terms energy: -373.813035
where:
bonds (distance) C4'-P energy: -72.924
bonds (distance) P-C4' energy: -71.476
flat angles C4'-P-C4' energy: -72.485
flat angles P-C4'-P energy: -50.998
tors. eta vs tors. theta energy: -105.930
Dist. restrs. and SS energy: 3.481 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -1171.561521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.561521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.240189 (E_RNA)
where:
Base-Base interactions energy: -845.055
where: short stacking energy: -345.142
Base-Backbone interact. energy: 0.415
local terms energy: -329.600313
where:
bonds (distance) C4'-P energy: -61.218
bonds (distance) P-C4' energy: -53.999
flat angles C4'-P-C4' energy: -71.105
flat angles P-C4'-P energy: -42.521
tors. eta vs tors. theta energy: -100.757
Dist. restrs. and SS energy: 2.679 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -1125.939633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.939633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.284490 (E_RNA)
where:
Base-Base interactions energy: -787.428
where: short stacking energy: -325.646
Base-Backbone interact. energy: -3.052
local terms energy: -338.804375
where:
bonds (distance) C4'-P energy: -58.769
bonds (distance) P-C4' energy: -68.800
flat angles C4'-P-C4' energy: -65.910
flat angles P-C4'-P energy: -53.312
tors. eta vs tors. theta energy: -92.014
Dist. restrs. and SS energy: 3.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -1095.574481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.574481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.706388 (E_RNA)
where:
Base-Base interactions energy: -758.803
where: short stacking energy: -316.566
Base-Backbone interact. energy: -2.938
local terms energy: -337.965936
where:
bonds (distance) C4'-P energy: -59.354
bonds (distance) P-C4' energy: -69.227
flat angles C4'-P-C4' energy: -76.075
flat angles P-C4'-P energy: -47.119
tors. eta vs tors. theta energy: -86.191
Dist. restrs. and SS energy: 4.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -1041.740248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.740248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.535647 (E_RNA)
where:
Base-Base interactions energy: -730.165
where: short stacking energy: -299.288
Base-Backbone interact. energy: -1.794
local terms energy: -313.576568
where:
bonds (distance) C4'-P energy: -47.589
bonds (distance) P-C4' energy: -66.544
flat angles C4'-P-C4' energy: -71.384
flat angles P-C4'-P energy: -51.431
tors. eta vs tors. theta energy: -76.630
Dist. restrs. and SS energy: 3.795 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -1008.669733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.669733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.425035 (E_RNA)
where:
Base-Base interactions energy: -701.247
where: short stacking energy: -289.645
Base-Backbone interact. energy: -0.609
local terms energy: -311.568340
where:
bonds (distance) C4'-P energy: -65.062
bonds (distance) P-C4' energy: -41.661
flat angles C4'-P-C4' energy: -64.646
flat angles P-C4'-P energy: -55.827
tors. eta vs tors. theta energy: -84.372
Dist. restrs. and SS energy: 4.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -967.096918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.096918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.848878 (E_RNA)
where:
Base-Base interactions energy: -672.411
where: short stacking energy: -280.239
Base-Backbone interact. energy: -1.149
local terms energy: -298.288838
where:
bonds (distance) C4'-P energy: -67.106
bonds (distance) P-C4' energy: -52.315
flat angles C4'-P-C4' energy: -64.872
flat angles P-C4'-P energy: -43.590
tors. eta vs tors. theta energy: -70.405
Dist. restrs. and SS energy: 4.752 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -906.196507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.196507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.821528 (E_RNA)
where:
Base-Base interactions energy: -622.522
where: short stacking energy: -230.334
Base-Backbone interact. energy: -2.406
local terms energy: -287.893526
where:
bonds (distance) C4'-P energy: -56.595
bonds (distance) P-C4' energy: -63.091
flat angles C4'-P-C4' energy: -62.508
flat angles P-C4'-P energy: -50.227
tors. eta vs tors. theta energy: -55.473
Dist. restrs. and SS energy: 6.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -916.454173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.454173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.490518 (E_RNA)
where:
Base-Base interactions energy: -641.202
where: short stacking energy: -262.768
Base-Backbone interact. energy: -0.268
local terms energy: -279.020567
where:
bonds (distance) C4'-P energy: -55.465
bonds (distance) P-C4' energy: -56.845
flat angles C4'-P-C4' energy: -65.649
flat angles P-C4'-P energy: -35.982
tors. eta vs tors. theta energy: -65.079
Dist. restrs. and SS energy: 4.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -780.828770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.828770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.642790 (E_RNA)
where:
Base-Base interactions energy: -566.735
where: short stacking energy: -229.982
Base-Backbone interact. energy: -0.273
local terms energy: -237.634770
where:
bonds (distance) C4'-P energy: -44.834
bonds (distance) P-C4' energy: -49.601
flat angles C4'-P-C4' energy: -59.474
flat angles P-C4'-P energy: -38.147
tors. eta vs tors. theta energy: -45.579
Dist. restrs. and SS energy: 23.814 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -1218.503119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.503119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.260400 (E_RNA)
where:
Base-Base interactions energy: -840.000
where: short stacking energy: -336.194
Base-Backbone interact. energy: -0.989
local terms energy: -380.271346
where:
bonds (distance) C4'-P energy: -67.632
bonds (distance) P-C4' energy: -71.045
flat angles C4'-P-C4' energy: -77.111
flat angles P-C4'-P energy: -59.284
tors. eta vs tors. theta energy: -105.199
Dist. restrs. and SS energy: 2.757 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -1177.348178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.348178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.272336 (E_RNA)
where:
Base-Base interactions energy: -829.519
where: short stacking energy: -336.993
Base-Backbone interact. energy: -2.293
local terms energy: -348.460018
where:
bonds (distance) C4'-P energy: -68.698
bonds (distance) P-C4' energy: -63.077
flat angles C4'-P-C4' energy: -78.216
flat angles P-C4'-P energy: -49.466
tors. eta vs tors. theta energy: -89.003
Dist. restrs. and SS energy: 2.924 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -1129.849141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.849141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.646865 (E_RNA)
where:
Base-Base interactions energy: -790.881
where: short stacking energy: -336.471
Base-Backbone interact. energy: 0.089
local terms energy: -341.854860
where:
bonds (distance) C4'-P energy: -61.398
bonds (distance) P-C4' energy: -60.255
flat angles C4'-P-C4' energy: -74.580
flat angles P-C4'-P energy: -51.471
tors. eta vs tors. theta energy: -94.151
Dist. restrs. and SS energy: 2.798 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -1135.281099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.281099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.830584 (E_RNA)
where:
Base-Base interactions energy: -795.402
where: short stacking energy: -323.615
Base-Backbone interact. energy: -3.647
local terms energy: -339.781599
where:
bonds (distance) C4'-P energy: -60.521
bonds (distance) P-C4' energy: -61.779
flat angles C4'-P-C4' energy: -70.625
flat angles P-C4'-P energy: -47.564
tors. eta vs tors. theta energy: -99.291
Dist. restrs. and SS energy: 3.549 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -1025.347384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.347384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.748033 (E_RNA)
where:
Base-Base interactions energy: -713.960
where: short stacking energy: -282.180
Base-Backbone interact. energy: -4.298
local terms energy: -310.489836
where:
bonds (distance) C4'-P energy: -61.366
bonds (distance) P-C4' energy: -59.488
flat angles C4'-P-C4' energy: -70.884
flat angles P-C4'-P energy: -46.817
tors. eta vs tors. theta energy: -71.935
Dist. restrs. and SS energy: 3.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -985.154473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.154473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.575118 (E_RNA)
where:
Base-Base interactions energy: -703.473
where: short stacking energy: -267.785
Base-Backbone interact. energy: 0.894
local terms energy: -285.995671
where:
bonds (distance) C4'-P energy: -47.790
bonds (distance) P-C4' energy: -56.109
flat angles C4'-P-C4' energy: -64.564
flat angles P-C4'-P energy: -47.342
tors. eta vs tors. theta energy: -70.191
Dist. restrs. and SS energy: 3.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -959.680061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.680061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.632609 (E_RNA)
where:
Base-Base interactions energy: -685.035
where: short stacking energy: -279.760
Base-Backbone interact. energy: 0.289
local terms energy: -285.886137
where:
bonds (distance) C4'-P energy: -50.050
bonds (distance) P-C4' energy: -61.068
flat angles C4'-P-C4' energy: -66.104
flat angles P-C4'-P energy: -48.307
tors. eta vs tors. theta energy: -60.358
Dist. restrs. and SS energy: 10.953 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -871.118237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.118237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.948719 (E_RNA)
where:
Base-Base interactions energy: -614.606
where: short stacking energy: -227.811
Base-Backbone interact. energy: -1.666
local terms energy: -259.676494
where:
bonds (distance) C4'-P energy: -54.902
bonds (distance) P-C4' energy: -58.261
flat angles C4'-P-C4' energy: -54.127
flat angles P-C4'-P energy: -29.590
tors. eta vs tors. theta energy: -62.797
Dist. restrs. and SS energy: 4.830 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -895.086536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.086536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.442267 (E_RNA)
where:
Base-Base interactions energy: -647.275
where: short stacking energy: -247.586
Base-Backbone interact. energy: -0.271
local terms energy: -251.896161
where:
bonds (distance) C4'-P energy: -42.559
bonds (distance) P-C4' energy: -52.395
flat angles C4'-P-C4' energy: -57.070
flat angles P-C4'-P energy: -42.139
tors. eta vs tors. theta energy: -57.733
Dist. restrs. and SS energy: 4.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -793.202165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.202165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.471321 (E_RNA)
where:
Base-Base interactions energy: -540.588
where: short stacking energy: -212.652
Base-Backbone interact. energy: -2.209
local terms energy: -262.674462
where:
bonds (distance) C4'-P energy: -49.430
bonds (distance) P-C4' energy: -49.641
flat angles C4'-P-C4' energy: -66.414
flat angles P-C4'-P energy: -43.975
tors. eta vs tors. theta energy: -53.215
Dist. restrs. and SS energy: 12.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -1214.876952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.876952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.319595 (E_RNA)
where:
Base-Base interactions energy: -847.642
where: short stacking energy: -343.574
Base-Backbone interact. energy: -3.522
local terms energy: -367.155444
where:
bonds (distance) C4'-P energy: -67.209
bonds (distance) P-C4' energy: -71.212
flat angles C4'-P-C4' energy: -83.790
flat angles P-C4'-P energy: -51.467
tors. eta vs tors. theta energy: -93.477
Dist. restrs. and SS energy: 3.443 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -1191.988576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.988576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.242102 (E_RNA)
where:
Base-Base interactions energy: -843.850
where: short stacking energy: -337.701
Base-Backbone interact. energy: -1.539
local terms energy: -349.854056
where:
bonds (distance) C4'-P energy: -63.226
bonds (distance) P-C4' energy: -67.524
flat angles C4'-P-C4' energy: -75.556
flat angles P-C4'-P energy: -46.316
tors. eta vs tors. theta energy: -97.232
Dist. restrs. and SS energy: 3.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -1135.567039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.567039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.878997 (E_RNA)
where:
Base-Base interactions energy: -784.577
where: short stacking energy: -320.660
Base-Backbone interact. energy: -1.602
local terms energy: -352.699422
where:
bonds (distance) C4'-P energy: -69.378
bonds (distance) P-C4' energy: -68.321
flat angles C4'-P-C4' energy: -77.894
flat angles P-C4'-P energy: -50.049
tors. eta vs tors. theta energy: -87.058
Dist. restrs. and SS energy: 3.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -1115.219489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.219489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.860295 (E_RNA)
where:
Base-Base interactions energy: -782.016
where: short stacking energy: -309.404
Base-Backbone interact. energy: -1.522
local terms energy: -334.322172
where:
bonds (distance) C4'-P energy: -49.022
bonds (distance) P-C4' energy: -67.560
flat angles C4'-P-C4' energy: -77.478
flat angles P-C4'-P energy: -39.850
tors. eta vs tors. theta energy: -100.411
Dist. restrs. and SS energy: 2.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -1041.247429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.247429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.379964 (E_RNA)
where:
Base-Base interactions energy: -748.761
where: short stacking energy: -300.743
Base-Backbone interact. energy: 2.037
local terms energy: -297.655437
where:
bonds (distance) C4'-P energy: -56.374
bonds (distance) P-C4' energy: -68.309
flat angles C4'-P-C4' energy: -50.568
flat angles P-C4'-P energy: -38.519
tors. eta vs tors. theta energy: -83.885
Dist. restrs. and SS energy: 3.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -979.673651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.673651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.982224 (E_RNA)
where:
Base-Base interactions energy: -689.116
where: short stacking energy: -268.112
Base-Backbone interact. energy: -2.466
local terms energy: -292.400642
where:
bonds (distance) C4'-P energy: -60.848
bonds (distance) P-C4' energy: -52.724
flat angles C4'-P-C4' energy: -61.583
flat angles P-C4'-P energy: -47.648
tors. eta vs tors. theta energy: -69.597
Dist. restrs. and SS energy: 4.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -944.776217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.776217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.747632 (E_RNA)
where:
Base-Base interactions energy: -661.147
where: short stacking energy: -266.783
Base-Backbone interact. energy: 0.422
local terms energy: -291.022999
where:
bonds (distance) C4'-P energy: -48.893
bonds (distance) P-C4' energy: -62.186
flat angles C4'-P-C4' energy: -81.465
flat angles P-C4'-P energy: -28.655
tors. eta vs tors. theta energy: -69.825
Dist. restrs. and SS energy: 6.971 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -926.725424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.725424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.468292 (E_RNA)
where:
Base-Base interactions energy: -647.665
where: short stacking energy: -264.429
Base-Backbone interact. energy: -2.871
local terms energy: -281.932171
where:
bonds (distance) C4'-P energy: -50.769
bonds (distance) P-C4' energy: -64.500
flat angles C4'-P-C4' energy: -57.865
flat angles P-C4'-P energy: -46.909
tors. eta vs tors. theta energy: -61.889
Dist. restrs. and SS energy: 5.743 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -868.212761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.212761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.050067 (E_RNA)
where:
Base-Base interactions energy: -614.457
where: short stacking energy: -247.397
Base-Backbone interact. energy: 0.823
local terms energy: -262.415814
where:
bonds (distance) C4'-P energy: -52.871
bonds (distance) P-C4' energy: -59.345
flat angles C4'-P-C4' energy: -57.789
flat angles P-C4'-P energy: -30.213
tors. eta vs tors. theta energy: -62.197
Dist. restrs. and SS energy: 7.837 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -767.507865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.507865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.582742 (E_RNA)
where:
Base-Base interactions energy: -555.748
where: short stacking energy: -221.548
Base-Backbone interact. energy: -2.339
local terms energy: -220.496154
where:
bonds (distance) C4'-P energy: -46.229
bonds (distance) P-C4' energy: -43.855
flat angles C4'-P-C4' energy: -39.999
flat angles P-C4'-P energy: -40.053
tors. eta vs tors. theta energy: -50.360
Dist. restrs. and SS energy: 11.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -1221.932455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.932455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.955842 (E_RNA)
where:
Base-Base interactions energy: -840.953
where: short stacking energy: -359.567
Base-Backbone interact. energy: -1.638
local terms energy: -382.364933
where:
bonds (distance) C4'-P energy: -74.404
bonds (distance) P-C4' energy: -70.983
flat angles C4'-P-C4' energy: -77.479
flat angles P-C4'-P energy: -57.523
tors. eta vs tors. theta energy: -101.976
Dist. restrs. and SS energy: 3.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -1176.920366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.920366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.949017 (E_RNA)
where:
Base-Base interactions energy: -825.438
where: short stacking energy: -327.609
Base-Backbone interact. energy: -0.744
local terms energy: -353.766337
where:
bonds (distance) C4'-P energy: -63.939
bonds (distance) P-C4' energy: -70.822
flat angles C4'-P-C4' energy: -74.123
flat angles P-C4'-P energy: -51.861
tors. eta vs tors. theta energy: -93.021
Dist. restrs. and SS energy: 3.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -1146.984640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.984640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.974369 (E_RNA)
where:
Base-Base interactions energy: -796.428
where: short stacking energy: -319.651
Base-Backbone interact. energy: 4.590
local terms energy: -358.136647
where:
bonds (distance) C4'-P energy: -68.398
bonds (distance) P-C4' energy: -66.720
flat angles C4'-P-C4' energy: -68.135
flat angles P-C4'-P energy: -60.602
tors. eta vs tors. theta energy: -94.283
Dist. restrs. and SS energy: 2.990 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -1088.334511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.334511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.323308 (E_RNA)
where:
Base-Base interactions energy: -739.668
where: short stacking energy: -312.577
Base-Backbone interact. energy: -1.052
local terms energy: -351.603666
where:
bonds (distance) C4'-P energy: -69.440
bonds (distance) P-C4' energy: -59.474
flat angles C4'-P-C4' energy: -81.537
flat angles P-C4'-P energy: -48.415
tors. eta vs tors. theta energy: -92.737
Dist. restrs. and SS energy: 3.989 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -1008.045104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.045104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.259476 (E_RNA)
where:
Base-Base interactions energy: -688.260
where: short stacking energy: -264.913
Base-Backbone interact. energy: -1.485
local terms energy: -327.514712
where:
bonds (distance) C4'-P energy: -71.224
bonds (distance) P-C4' energy: -62.558
flat angles C4'-P-C4' energy: -67.396
flat angles P-C4'-P energy: -50.767
tors. eta vs tors. theta energy: -75.569
Dist. restrs. and SS energy: 9.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -987.738089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.738089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.056790 (E_RNA)
where:
Base-Base interactions energy: -682.442
where: short stacking energy: -279.747
Base-Backbone interact. energy: -1.318
local terms energy: -307.296259
where:
bonds (distance) C4'-P energy: -68.482
bonds (distance) P-C4' energy: -53.645
flat angles C4'-P-C4' energy: -66.648
flat angles P-C4'-P energy: -39.107
tors. eta vs tors. theta energy: -79.414
Dist. restrs. and SS energy: 3.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -978.014240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.014240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.847775 (E_RNA)
where:
Base-Base interactions energy: -682.401
where: short stacking energy: -266.012
Base-Backbone interact. energy: -2.348
local terms energy: -301.099559
where:
bonds (distance) C4'-P energy: -60.475
bonds (distance) P-C4' energy: -58.744
flat angles C4'-P-C4' energy: -68.921
flat angles P-C4'-P energy: -45.117
tors. eta vs tors. theta energy: -67.843
Dist. restrs. and SS energy: 7.834 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -931.484962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.484962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.456586 (E_RNA)
where:
Base-Base interactions energy: -659.288
where: short stacking energy: -260.512
Base-Backbone interact. energy: -1.825
local terms energy: -275.343783
where:
bonds (distance) C4'-P energy: -45.983
bonds (distance) P-C4' energy: -56.767
flat angles C4'-P-C4' energy: -66.810
flat angles P-C4'-P energy: -36.431
tors. eta vs tors. theta energy: -69.352
Dist. restrs. and SS energy: 4.972 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -878.127419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.127419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.710789 (E_RNA)
where:
Base-Base interactions energy: -625.832
where: short stacking energy: -246.020
Base-Backbone interact. energy: 1.870
local terms energy: -261.748816
where:
bonds (distance) C4'-P energy: -52.292
bonds (distance) P-C4' energy: -49.144
flat angles C4'-P-C4' energy: -60.416
flat angles P-C4'-P energy: -38.961
tors. eta vs tors. theta energy: -60.937
Dist. restrs. and SS energy: 7.583 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -805.485648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.485648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.430029 (E_RNA)
where:
Base-Base interactions energy: -554.049
where: short stacking energy: -227.865
Base-Backbone interact. energy: -0.613
local terms energy: -263.768149
where:
bonds (distance) C4'-P energy: -56.265
bonds (distance) P-C4' energy: -57.593
flat angles C4'-P-C4' energy: -57.769
flat angles P-C4'-P energy: -30.786
tors. eta vs tors. theta energy: -61.355
Dist. restrs. and SS energy: 12.944 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -1212.380342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.380342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.691025 (E_RNA)
where:
Base-Base interactions energy: -855.178
where: short stacking energy: -345.263
Base-Backbone interact. energy: -1.887
local terms energy: -358.626766
where:
bonds (distance) C4'-P energy: -64.754
bonds (distance) P-C4' energy: -60.672
flat angles C4'-P-C4' energy: -75.785
flat angles P-C4'-P energy: -55.018
tors. eta vs tors. theta energy: -102.398
Dist. restrs. and SS energy: 3.311 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -1165.087900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.087900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.699633 (E_RNA)
where:
Base-Base interactions energy: -816.680
where: short stacking energy: -322.977
Base-Backbone interact. energy: -0.293
local terms energy: -350.726666
where:
bonds (distance) C4'-P energy: -72.294
bonds (distance) P-C4' energy: -69.654
flat angles C4'-P-C4' energy: -78.783
flat angles P-C4'-P energy: -45.461
tors. eta vs tors. theta energy: -84.535
Dist. restrs. and SS energy: 2.612 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -1126.764775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.764775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.153580 (E_RNA)
where:
Base-Base interactions energy: -778.094
where: short stacking energy: -324.194
Base-Backbone interact. energy: -1.894
local terms energy: -350.165315
where:
bonds (distance) C4'-P energy: -64.569
bonds (distance) P-C4' energy: -65.471
flat angles C4'-P-C4' energy: -74.434
flat angles P-C4'-P energy: -49.322
tors. eta vs tors. theta energy: -96.369
Dist. restrs. and SS energy: 3.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -1085.179997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.179997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.931497 (E_RNA)
where:
Base-Base interactions energy: -764.097
where: short stacking energy: -330.473
Base-Backbone interact. energy: -1.863
local terms energy: -322.971621
where:
bonds (distance) C4'-P energy: -59.783
bonds (distance) P-C4' energy: -58.496
flat angles C4'-P-C4' energy: -71.155
flat angles P-C4'-P energy: -46.446
tors. eta vs tors. theta energy: -87.092
Dist. restrs. and SS energy: 3.752 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -994.927370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.927370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.742116 (E_RNA)
where:
Base-Base interactions energy: -703.371
where: short stacking energy: -296.161
Base-Backbone interact. energy: -2.405
local terms energy: -298.966613
where:
bonds (distance) C4'-P energy: -57.392
bonds (distance) P-C4' energy: -52.080
flat angles C4'-P-C4' energy: -67.932
flat angles P-C4'-P energy: -44.454
tors. eta vs tors. theta energy: -77.110
Dist. restrs. and SS energy: 9.815 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -979.195808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.195808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.185623 (E_RNA)
where:
Base-Base interactions energy: -694.472
where: short stacking energy: -267.445
Base-Backbone interact. energy: 0.539
local terms energy: -288.252340
where:
bonds (distance) C4'-P energy: -62.784
bonds (distance) P-C4' energy: -48.638
flat angles C4'-P-C4' energy: -64.584
flat angles P-C4'-P energy: -41.820
tors. eta vs tors. theta energy: -70.427
Dist. restrs. and SS energy: 2.990 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -950.359155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.359155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.741630 (E_RNA)
where:
Base-Base interactions energy: -694.240
where: short stacking energy: -277.691
Base-Backbone interact. energy: 0.351
local terms energy: -267.852654
where:
bonds (distance) C4'-P energy: -39.721
bonds (distance) P-C4' energy: -58.511
flat angles C4'-P-C4' energy: -62.224
flat angles P-C4'-P energy: -33.805
tors. eta vs tors. theta energy: -73.593
Dist. restrs. and SS energy: 11.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -924.955287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.955287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.992416 (E_RNA)
where:
Base-Base interactions energy: -648.507
where: short stacking energy: -255.249
Base-Backbone interact. energy: -1.092
local terms energy: -282.392697
where:
bonds (distance) C4'-P energy: -58.925
bonds (distance) P-C4' energy: -56.122
flat angles C4'-P-C4' energy: -63.387
flat angles P-C4'-P energy: -43.590
tors. eta vs tors. theta energy: -60.369
Dist. restrs. and SS energy: 7.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -863.133742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.133742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.737317 (E_RNA)
where:
Base-Base interactions energy: -601.225
where: short stacking energy: -254.138
Base-Backbone interact. energy: -1.618
local terms energy: -266.894024
where:
bonds (distance) C4'-P energy: -60.092
bonds (distance) P-C4' energy: -50.065
flat angles C4'-P-C4' energy: -64.766
flat angles P-C4'-P energy: -34.974
tors. eta vs tors. theta energy: -56.997
Dist. restrs. and SS energy: 6.604 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -809.328166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.328166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.855752 (E_RNA)
where:
Base-Base interactions energy: -573.803
where: short stacking energy: -210.510
Base-Backbone interact. energy: 0.531
local terms energy: -244.584450
where:
bonds (distance) C4'-P energy: -45.826
bonds (distance) P-C4' energy: -43.662
flat angles C4'-P-C4' energy: -64.299
flat angles P-C4'-P energy: -37.958
tors. eta vs tors. theta energy: -52.839
Dist. restrs. and SS energy: 8.528 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -1208.673437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.673437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.675855 (E_RNA)
where:
Base-Base interactions energy: -834.539
where: short stacking energy: -337.715
Base-Backbone interact. energy: -1.727
local terms energy: -376.409649
where:
bonds (distance) C4'-P energy: -71.323
bonds (distance) P-C4' energy: -74.940
flat angles C4'-P-C4' energy: -75.173
flat angles P-C4'-P energy: -55.441
tors. eta vs tors. theta energy: -99.533
Dist. restrs. and SS energy: 4.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -1132.678088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.678088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.401216 (E_RNA)
where:
Base-Base interactions energy: -809.789
where: short stacking energy: -303.099
Base-Backbone interact. energy: -0.980
local terms energy: -327.632311
where:
bonds (distance) C4'-P energy: -61.576
bonds (distance) P-C4' energy: -65.489
flat angles C4'-P-C4' energy: -70.461
flat angles P-C4'-P energy: -47.053
tors. eta vs tors. theta energy: -83.053
Dist. restrs. and SS energy: 5.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -1130.006476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.006476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.085954 (E_RNA)
where:
Base-Base interactions energy: -769.143
where: short stacking energy: -328.985
Base-Backbone interact. energy: -1.185
local terms energy: -362.758206
where:
bonds (distance) C4'-P energy: -67.360
bonds (distance) P-C4' energy: -69.634
flat angles C4'-P-C4' energy: -77.420
flat angles P-C4'-P energy: -55.747
tors. eta vs tors. theta energy: -92.597
Dist. restrs. and SS energy: 3.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -1106.045262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.045262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.416855 (E_RNA)
where:
Base-Base interactions energy: -770.486
where: short stacking energy: -322.627
Base-Backbone interact. energy: -3.291
local terms energy: -335.639752
where:
bonds (distance) C4'-P energy: -64.403
bonds (distance) P-C4' energy: -61.634
flat angles C4'-P-C4' energy: -70.266
flat angles P-C4'-P energy: -45.775
tors. eta vs tors. theta energy: -93.561
Dist. restrs. and SS energy: 3.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -1011.897402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.897402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.197704 (E_RNA)
where:
Base-Base interactions energy: -700.298
where: short stacking energy: -297.707
Base-Backbone interact. energy: -1.586
local terms energy: -317.313746
where:
bonds (distance) C4'-P energy: -63.274
bonds (distance) P-C4' energy: -57.456
flat angles C4'-P-C4' energy: -75.162
flat angles P-C4'-P energy: -34.369
tors. eta vs tors. theta energy: -87.053
Dist. restrs. and SS energy: 7.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -983.502769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.502769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.422095 (E_RNA)
where:
Base-Base interactions energy: -693.607
where: short stacking energy: -271.372
Base-Backbone interact. energy: 1.361
local terms energy: -294.176065
where:
bonds (distance) C4'-P energy: -64.405
bonds (distance) P-C4' energy: -55.665
flat angles C4'-P-C4' energy: -68.130
flat angles P-C4'-P energy: -42.862
tors. eta vs tors. theta energy: -63.114
Dist. restrs. and SS energy: 2.919 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -970.639772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.639772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.844401 (E_RNA)
where:
Base-Base interactions energy: -688.528
where: short stacking energy: -266.461
Base-Backbone interact. energy: -0.829
local terms energy: -285.486961
where:
bonds (distance) C4'-P energy: -57.047
bonds (distance) P-C4' energy: -62.835
flat angles C4'-P-C4' energy: -61.445
flat angles P-C4'-P energy: -43.567
tors. eta vs tors. theta energy: -60.593
Dist. restrs. and SS energy: 4.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -925.683475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.683475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.242278 (E_RNA)
where:
Base-Base interactions energy: -644.968
where: short stacking energy: -266.684
Base-Backbone interact. energy: -0.384
local terms energy: -285.890028
where:
bonds (distance) C4'-P energy: -53.036
bonds (distance) P-C4' energy: -62.682
flat angles C4'-P-C4' energy: -59.823
flat angles P-C4'-P energy: -43.763
tors. eta vs tors. theta energy: -66.585
Dist. restrs. and SS energy: 5.559 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -849.030070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.030070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.990450 (E_RNA)
where:
Base-Base interactions energy: -593.872
where: short stacking energy: -227.581
Base-Backbone interact. energy: -2.928
local terms energy: -257.190837
where:
bonds (distance) C4'-P energy: -43.522
bonds (distance) P-C4' energy: -64.298
flat angles C4'-P-C4' energy: -61.849
flat angles P-C4'-P energy: -38.369
tors. eta vs tors. theta energy: -49.152
Dist. restrs. and SS energy: 4.960 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -852.072286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.072286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.550129 (E_RNA)
where:
Base-Base interactions energy: -612.431
where: short stacking energy: -253.678
Base-Backbone interact. energy: 0.197
local terms energy: -248.315946
where:
bonds (distance) C4'-P energy: -43.867
bonds (distance) P-C4' energy: -65.395
flat angles C4'-P-C4' energy: -58.512
flat angles P-C4'-P energy: -27.961
tors. eta vs tors. theta energy: -52.581
Dist. restrs. and SS energy: 8.478 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -1201.864107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.864107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.471555 (E_RNA)
where:
Base-Base interactions energy: -844.276
where: short stacking energy: -328.602
Base-Backbone interact. energy: -6.231
local terms energy: -353.964294
where:
bonds (distance) C4'-P energy: -69.956
bonds (distance) P-C4' energy: -69.709
flat angles C4'-P-C4' energy: -69.883
flat angles P-C4'-P energy: -51.971
tors. eta vs tors. theta energy: -92.446
Dist. restrs. and SS energy: 2.607 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -1119.702134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.702134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.830853 (E_RNA)
where:
Base-Base interactions energy: -773.578
where: short stacking energy: -319.651
Base-Backbone interact. energy: 0.132
local terms energy: -349.383995
where:
bonds (distance) C4'-P energy: -63.561
bonds (distance) P-C4' energy: -68.504
flat angles C4'-P-C4' energy: -73.066
flat angles P-C4'-P energy: -58.349
tors. eta vs tors. theta energy: -85.903
Dist. restrs. and SS energy: 3.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -1144.508956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.508956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.594242 (E_RNA)
where:
Base-Base interactions energy: -809.441
where: short stacking energy: -308.654
Base-Backbone interact. energy: -2.443
local terms energy: -338.710388
where:
bonds (distance) C4'-P energy: -58.836
bonds (distance) P-C4' energy: -71.233
flat angles C4'-P-C4' energy: -70.983
flat angles P-C4'-P energy: -51.894
tors. eta vs tors. theta energy: -85.765
Dist. restrs. and SS energy: 6.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -1085.040757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.040757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.289500 (E_RNA)
where:
Base-Base interactions energy: -754.208
where: short stacking energy: -312.602
Base-Backbone interact. energy: -2.958
local terms energy: -331.123124
where:
bonds (distance) C4'-P energy: -68.866
bonds (distance) P-C4' energy: -62.243
flat angles C4'-P-C4' energy: -61.163
flat angles P-C4'-P energy: -54.692
tors. eta vs tors. theta energy: -84.159
Dist. restrs. and SS energy: 3.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -981.170514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.170514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.261369 (E_RNA)
where:
Base-Base interactions energy: -676.813
where: short stacking energy: -279.494
Base-Backbone interact. energy: -2.326
local terms energy: -306.122893
where:
bonds (distance) C4'-P energy: -62.668
bonds (distance) P-C4' energy: -43.333
flat angles C4'-P-C4' energy: -65.907
flat angles P-C4'-P energy: -55.782
tors. eta vs tors. theta energy: -78.433
Dist. restrs. and SS energy: 4.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -1000.462129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.462129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.749051 (E_RNA)
where:
Base-Base interactions energy: -719.545
where: short stacking energy: -275.475
Base-Backbone interact. energy: -2.105
local terms energy: -283.098740
where:
bonds (distance) C4'-P energy: -55.378
bonds (distance) P-C4' energy: -48.468
flat angles C4'-P-C4' energy: -69.015
flat angles P-C4'-P energy: -42.298
tors. eta vs tors. theta energy: -67.939
Dist. restrs. and SS energy: 4.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -962.363007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.363007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.263723 (E_RNA)
where:
Base-Base interactions energy: -663.946
where: short stacking energy: -277.457
Base-Backbone interact. energy: -0.805
local terms energy: -301.512894
where:
bonds (distance) C4'-P energy: -52.451
bonds (distance) P-C4' energy: -68.255
flat angles C4'-P-C4' energy: -67.672
flat angles P-C4'-P energy: -42.674
tors. eta vs tors. theta energy: -70.461
Dist. restrs. and SS energy: 3.901 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -936.839551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.839551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.295888 (E_RNA)
where:
Base-Base interactions energy: -654.379
where: short stacking energy: -262.638
Base-Backbone interact. energy: -0.863
local terms energy: -287.054115
where:
bonds (distance) C4'-P energy: -60.039
bonds (distance) P-C4' energy: -66.547
flat angles C4'-P-C4' energy: -53.220
flat angles P-C4'-P energy: -35.495
tors. eta vs tors. theta energy: -71.754
Dist. restrs. and SS energy: 5.456 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -877.801647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.801647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.787025 (E_RNA)
where:
Base-Base interactions energy: -613.860
where: short stacking energy: -251.398
Base-Backbone interact. energy: -1.520
local terms energy: -271.406091
where:
bonds (distance) C4'-P energy: -59.895
bonds (distance) P-C4' energy: -52.518
flat angles C4'-P-C4' energy: -53.515
flat angles P-C4'-P energy: -38.981
tors. eta vs tors. theta energy: -66.497
Dist. restrs. and SS energy: 8.985 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -831.825725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.825725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.250093 (E_RNA)
where:
Base-Base interactions energy: -581.024
where: short stacking energy: -221.810
Base-Backbone interact. energy: 0.107
local terms energy: -257.333699
where:
bonds (distance) C4'-P energy: -58.836
bonds (distance) P-C4' energy: -55.738
flat angles C4'-P-C4' energy: -61.695
flat angles P-C4'-P energy: -33.991
tors. eta vs tors. theta energy: -47.073
Dist. restrs. and SS energy: 6.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -1161.186473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.186473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.722426 (E_RNA)
where:
Base-Base interactions energy: -802.855
where: short stacking energy: -337.212
Base-Backbone interact. energy: -2.190
local terms energy: -358.678021
where:
bonds (distance) C4'-P energy: -57.622
bonds (distance) P-C4' energy: -75.044
flat angles C4'-P-C4' energy: -75.354
flat angles P-C4'-P energy: -54.289
tors. eta vs tors. theta energy: -96.369
Dist. restrs. and SS energy: 2.536 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -1135.790176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.790176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.347256 (E_RNA)
where:
Base-Base interactions energy: -802.822
where: short stacking energy: -305.555
Base-Backbone interact. energy: -3.307
local terms energy: -332.218291
where:
bonds (distance) C4'-P energy: -58.579
bonds (distance) P-C4' energy: -68.558
flat angles C4'-P-C4' energy: -67.230
flat angles P-C4'-P energy: -61.522
tors. eta vs tors. theta energy: -76.329
Dist. restrs. and SS energy: 2.557 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -1123.568869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.568869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.413736 (E_RNA)
where:
Base-Base interactions energy: -773.107
where: short stacking energy: -315.816
Base-Backbone interact. energy: -3.053
local terms energy: -354.254422
where:
bonds (distance) C4'-P energy: -71.297
bonds (distance) P-C4' energy: -62.832
flat angles C4'-P-C4' energy: -71.082
flat angles P-C4'-P energy: -60.813
tors. eta vs tors. theta energy: -88.231
Dist. restrs. and SS energy: 6.845 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -1081.566095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.566095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.492558 (E_RNA)
where:
Base-Base interactions energy: -745.133
where: short stacking energy: -288.569
Base-Backbone interact. energy: -4.098
local terms energy: -335.261538
where:
bonds (distance) C4'-P energy: -62.730
bonds (distance) P-C4' energy: -56.777
flat angles C4'-P-C4' energy: -76.990
flat angles P-C4'-P energy: -51.973
tors. eta vs tors. theta energy: -86.791
Dist. restrs. and SS energy: 2.926 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -1049.625258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.625258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.488315 (E_RNA)
where:
Base-Base interactions energy: -713.260
where: short stacking energy: -285.857
Base-Backbone interact. energy: -2.038
local terms energy: -337.190121
where:
bonds (distance) C4'-P energy: -68.647
bonds (distance) P-C4' energy: -63.419
flat angles C4'-P-C4' energy: -65.646
flat angles P-C4'-P energy: -55.595
tors. eta vs tors. theta energy: -83.884
Dist. restrs. and SS energy: 2.863 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -1008.741162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.741162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.757243 (E_RNA)
where:
Base-Base interactions energy: -706.859
where: short stacking energy: -285.482
Base-Backbone interact. energy: 5.320
local terms energy: -310.218004
where:
bonds (distance) C4'-P energy: -59.610
bonds (distance) P-C4' energy: -67.354
flat angles C4'-P-C4' energy: -64.018
flat angles P-C4'-P energy: -44.062
tors. eta vs tors. theta energy: -75.174
Dist. restrs. and SS energy: 3.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -942.150298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.150298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.008525 (E_RNA)
where:
Base-Base interactions energy: -674.198
where: short stacking energy: -258.056
Base-Backbone interact. energy: -1.239
local terms energy: -270.571012
where:
bonds (distance) C4'-P energy: -51.502
bonds (distance) P-C4' energy: -53.186
flat angles C4'-P-C4' energy: -50.660
flat angles P-C4'-P energy: -44.034
tors. eta vs tors. theta energy: -71.189
Dist. restrs. and SS energy: 3.858 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -941.163599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.163599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.998072 (E_RNA)
where:
Base-Base interactions energy: -664.396
where: short stacking energy: -263.497
Base-Backbone interact. energy: -1.005
local terms energy: -286.597221
where:
bonds (distance) C4'-P energy: -53.279
bonds (distance) P-C4' energy: -63.658
flat angles C4'-P-C4' energy: -61.534
flat angles P-C4'-P energy: -37.271
tors. eta vs tors. theta energy: -70.856
Dist. restrs. and SS energy: 10.834 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -854.802819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.802819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.480149 (E_RNA)
where:
Base-Base interactions energy: -597.789
where: short stacking energy: -239.648
Base-Backbone interact. energy: -1.062
local terms energy: -261.628646
where:
bonds (distance) C4'-P energy: -51.934
bonds (distance) P-C4' energy: -56.962
flat angles C4'-P-C4' energy: -57.106
flat angles P-C4'-P energy: -37.460
tors. eta vs tors. theta energy: -58.167
Dist. restrs. and SS energy: 5.677 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -844.435727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.435727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.361097 (E_RNA)
where:
Base-Base interactions energy: -594.622
where: short stacking energy: -233.794
Base-Backbone interact. energy: 1.221
local terms energy: -257.959861
where:
bonds (distance) C4'-P energy: -59.897
bonds (distance) P-C4' energy: -52.880
flat angles C4'-P-C4' energy: -57.426
flat angles P-C4'-P energy: -35.393
tors. eta vs tors. theta energy: -52.363
Dist. restrs. and SS energy: 6.925 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -1164.290921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.290921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.036633 (E_RNA)
where:
Base-Base interactions energy: -823.683
where: short stacking energy: -335.415
Base-Backbone interact. energy: -3.074
local terms energy: -340.279046
where:
bonds (distance) C4'-P energy: -57.396
bonds (distance) P-C4' energy: -61.645
flat angles C4'-P-C4' energy: -73.226
flat angles P-C4'-P energy: -52.312
tors. eta vs tors. theta energy: -95.699
Dist. restrs. and SS energy: 2.746 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -1176.878977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.878977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.794977 (E_RNA)
where:
Base-Base interactions energy: -815.869
where: short stacking energy: -327.767
Base-Backbone interact. energy: -3.935
local terms energy: -359.990855
where:
bonds (distance) C4'-P energy: -67.611
bonds (distance) P-C4' energy: -74.618
flat angles C4'-P-C4' energy: -68.448
flat angles P-C4'-P energy: -52.177
tors. eta vs tors. theta energy: -97.137
Dist. restrs. and SS energy: 2.916 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -1178.352652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.352652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.824343 (E_RNA)
where:
Base-Base interactions energy: -815.396
where: short stacking energy: -330.489
Base-Backbone interact. energy: -1.020
local terms energy: -366.408486
where:
bonds (distance) C4'-P energy: -71.487
bonds (distance) P-C4' energy: -65.746
flat angles C4'-P-C4' energy: -76.527
flat angles P-C4'-P energy: -55.507
tors. eta vs tors. theta energy: -97.141
Dist. restrs. and SS energy: 4.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -1076.953517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.953517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.326762 (E_RNA)
where:
Base-Base interactions energy: -746.118
where: short stacking energy: -303.808
Base-Backbone interact. energy: -1.745
local terms energy: -332.464078
where:
bonds (distance) C4'-P energy: -70.071
bonds (distance) P-C4' energy: -59.794
flat angles C4'-P-C4' energy: -61.011
flat angles P-C4'-P energy: -49.400
tors. eta vs tors. theta energy: -92.188
Dist. restrs. and SS energy: 3.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -995.832994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.832994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.403507 (E_RNA)
where:
Base-Base interactions energy: -704.557
where: short stacking energy: -282.057
Base-Backbone interact. energy: -1.048
local terms energy: -293.798528
where:
bonds (distance) C4'-P energy: -51.717
bonds (distance) P-C4' energy: -62.455
flat angles C4'-P-C4' energy: -66.337
flat angles P-C4'-P energy: -40.226
tors. eta vs tors. theta energy: -73.063
Dist. restrs. and SS energy: 3.571 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -1019.420586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.420586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.264134 (E_RNA)
where:
Base-Base interactions energy: -722.209
where: short stacking energy: -282.711
Base-Backbone interact. energy: -2.433
local terms energy: -298.622131
where:
bonds (distance) C4'-P energy: -49.342
bonds (distance) P-C4' energy: -63.104
flat angles C4'-P-C4' energy: -63.065
flat angles P-C4'-P energy: -48.388
tors. eta vs tors. theta energy: -74.724
Dist. restrs. and SS energy: 3.844 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -974.218060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.218060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.798423 (E_RNA)
where:
Base-Base interactions energy: -689.373
where: short stacking energy: -266.305
Base-Backbone interact. energy: -1.561
local terms energy: -286.864323
where:
bonds (distance) C4'-P energy: -42.287
bonds (distance) P-C4' energy: -69.556
flat angles C4'-P-C4' energy: -65.042
flat angles P-C4'-P energy: -42.308
tors. eta vs tors. theta energy: -67.671
Dist. restrs. and SS energy: 3.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -885.398116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.398116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.633023 (E_RNA)
where:
Base-Base interactions energy: -617.505
where: short stacking energy: -244.375
Base-Backbone interact. energy: 0.559
local terms energy: -273.687269
where:
bonds (distance) C4'-P energy: -54.620
bonds (distance) P-C4' energy: -57.004
flat angles C4'-P-C4' energy: -58.409
flat angles P-C4'-P energy: -45.009
tors. eta vs tors. theta energy: -58.644
Dist. restrs. and SS energy: 5.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -902.526275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.526275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.326308 (E_RNA)
where:
Base-Base interactions energy: -643.575
where: short stacking energy: -265.239
Base-Backbone interact. energy: 1.211
local terms energy: -269.962235
where:
bonds (distance) C4'-P energy: -41.184
bonds (distance) P-C4' energy: -52.279
flat angles C4'-P-C4' energy: -59.704
flat angles P-C4'-P energy: -42.706
tors. eta vs tors. theta energy: -74.090
Dist. restrs. and SS energy: 9.800 (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: 337
Temperature: 1.350000
Total energy: -827.493780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.493780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.149319 (E_RNA)
where:
Base-Base interactions energy: -577.943
where: short stacking energy: -230.371
Base-Backbone interact. energy: -1.193
local terms energy: -258.013456
where:
bonds (distance) C4'-P energy: -61.684
bonds (distance) P-C4' energy: -58.974
flat angles C4'-P-C4' energy: -51.943
flat angles P-C4'-P energy: -35.215
tors. eta vs tors. theta energy: -50.197
Dist. restrs. and SS energy: 9.656 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -1189.561595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.561595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.919650 (E_RNA)
where:
Base-Base interactions energy: -819.955
where: short stacking energy: -336.959
Base-Backbone interact. energy: -1.318
local terms energy: -371.646674
where:
bonds (distance) C4'-P energy: -70.926
bonds (distance) P-C4' energy: -75.101
flat angles C4'-P-C4' energy: -76.122
flat angles P-C4'-P energy: -56.109
tors. eta vs tors. theta energy: -93.388
Dist. restrs. and SS energy: 3.358 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -1164.026029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.026029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.585523 (E_RNA)
where:
Base-Base interactions energy: -805.395
where: short stacking energy: -332.630
Base-Backbone interact. energy: -1.135
local terms energy: -361.056170
where:
bonds (distance) C4'-P energy: -62.607
bonds (distance) P-C4' energy: -69.567
flat angles C4'-P-C4' energy: -79.563
flat angles P-C4'-P energy: -56.041
tors. eta vs tors. theta energy: -93.279
Dist. restrs. and SS energy: 3.559 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -1151.099675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.099675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.581233 (E_RNA)
where:
Base-Base interactions energy: -827.353
where: short stacking energy: -318.305
Base-Backbone interact. energy: -2.921
local terms energy: -326.307136
where:
bonds (distance) C4'-P energy: -58.263
bonds (distance) P-C4' energy: -58.579
flat angles C4'-P-C4' energy: -68.580
flat angles P-C4'-P energy: -50.216
tors. eta vs tors. theta energy: -90.668
Dist. restrs. and SS energy: 5.482 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -1061.225365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.225365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.540698 (E_RNA)
where:
Base-Base interactions energy: -728.762
where: short stacking energy: -291.812
Base-Backbone interact. energy: -0.869
local terms energy: -334.910032
where:
bonds (distance) C4'-P energy: -63.307
bonds (distance) P-C4' energy: -66.812
flat angles C4'-P-C4' energy: -73.150
flat angles P-C4'-P energy: -46.324
tors. eta vs tors. theta energy: -85.316
Dist. restrs. and SS energy: 3.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -1051.128385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.128385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.867884 (E_RNA)
where:
Base-Base interactions energy: -735.958
where: short stacking energy: -305.884
Base-Backbone interact. energy: -1.812
local terms energy: -316.097386
where:
bonds (distance) C4'-P energy: -64.273
bonds (distance) P-C4' energy: -63.554
flat angles C4'-P-C4' energy: -66.703
flat angles P-C4'-P energy: -38.616
tors. eta vs tors. theta energy: -82.951
Dist. restrs. and SS energy: 2.739 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -962.374838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.374838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.461847 (E_RNA)
where:
Base-Base interactions energy: -689.307
where: short stacking energy: -274.315
Base-Backbone interact. energy: 6.580
local terms energy: -284.735094
where:
bonds (distance) C4'-P energy: -62.146
bonds (distance) P-C4' energy: -59.969
flat angles C4'-P-C4' energy: -63.614
flat angles P-C4'-P energy: -31.436
tors. eta vs tors. theta energy: -67.570
Dist. restrs. and SS energy: 5.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -974.946037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.946037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.868865 (E_RNA)
where:
Base-Base interactions energy: -686.488
where: short stacking energy: -271.897
Base-Backbone interact. energy: 0.014
local terms energy: -295.394689
where:
bonds (distance) C4'-P energy: -52.207
bonds (distance) P-C4' energy: -68.626
flat angles C4'-P-C4' energy: -65.372
flat angles P-C4'-P energy: -31.632
tors. eta vs tors. theta energy: -77.557
Dist. restrs. and SS energy: 6.923 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -889.206604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.206604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.931925 (E_RNA)
where:
Base-Base interactions energy: -601.930
where: short stacking energy: -237.173
Base-Backbone interact. energy: -2.540
local terms energy: -289.461675
where:
bonds (distance) C4'-P energy: -52.861
bonds (distance) P-C4' energy: -54.459
flat angles C4'-P-C4' energy: -77.801
flat angles P-C4'-P energy: -46.452
tors. eta vs tors. theta energy: -57.890
Dist. restrs. and SS energy: 4.725 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -880.593661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.593661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.165660 (E_RNA)
where:
Base-Base interactions energy: -617.082
where: short stacking energy: -247.517
Base-Backbone interact. energy: 0.227
local terms energy: -270.310588
where:
bonds (distance) C4'-P energy: -53.740
bonds (distance) P-C4' energy: -52.756
flat angles C4'-P-C4' energy: -66.561
flat angles P-C4'-P energy: -37.096
tors. eta vs tors. theta energy: -60.157
Dist. restrs. and SS energy: 6.572 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -767.220762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.220762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.034736 (E_RNA)
where:
Base-Base interactions energy: -545.264
where: short stacking energy: -219.608
Base-Backbone interact. energy: 3.281
local terms energy: -235.052712
where:
bonds (distance) C4'-P energy: -47.166
bonds (distance) P-C4' energy: -58.623
flat angles C4'-P-C4' energy: -58.854
flat angles P-C4'-P energy: -19.837
tors. eta vs tors. theta energy: -50.573
Dist. restrs. and SS energy: 9.814 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -1192.727854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.727854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.933604 (E_RNA)
where:
Base-Base interactions energy: -826.433
where: short stacking energy: -348.492
Base-Backbone interact. energy: -2.626
local terms energy: -366.874125
where:
bonds (distance) C4'-P energy: -75.848
bonds (distance) P-C4' energy: -66.445
flat angles C4'-P-C4' energy: -76.694
flat angles P-C4'-P energy: -53.207
tors. eta vs tors. theta energy: -94.680
Dist. restrs. and SS energy: 3.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -1184.127146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.127146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.233527 (E_RNA)
where:
Base-Base interactions energy: -819.189
where: short stacking energy: -353.061
Base-Backbone interact. energy: 0.969
local terms energy: -369.013086
where:
bonds (distance) C4'-P energy: -72.314
bonds (distance) P-C4' energy: -64.777
flat angles C4'-P-C4' energy: -76.994
flat angles P-C4'-P energy: -53.606
tors. eta vs tors. theta energy: -101.323
Dist. restrs. and SS energy: 3.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -1174.010324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.010324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.719409 (E_RNA)
where:
Base-Base interactions energy: -802.034
where: short stacking energy: -333.051
Base-Backbone interact. energy: -3.391
local terms energy: -371.293859
where:
bonds (distance) C4'-P energy: -66.482
bonds (distance) P-C4' energy: -74.877
flat angles C4'-P-C4' energy: -78.799
flat angles P-C4'-P energy: -57.173
tors. eta vs tors. theta energy: -93.963
Dist. restrs. and SS energy: 2.709 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -1121.633900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.633900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.095157 (E_RNA)
where:
Base-Base interactions energy: -784.273
where: short stacking energy: -342.341
Base-Backbone interact. energy: -0.718
local terms energy: -340.104222
where:
bonds (distance) C4'-P energy: -57.822
bonds (distance) P-C4' energy: -50.020
flat angles C4'-P-C4' energy: -73.249
flat angles P-C4'-P energy: -54.801
tors. eta vs tors. theta energy: -104.212
Dist. restrs. and SS energy: 3.461 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -1051.756992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.756992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.169692 (E_RNA)
where:
Base-Base interactions energy: -730.508
where: short stacking energy: -284.505
Base-Backbone interact. energy: 0.079
local terms energy: -324.740936
where:
bonds (distance) C4'-P energy: -64.142
bonds (distance) P-C4' energy: -62.490
flat angles C4'-P-C4' energy: -71.856
flat angles P-C4'-P energy: -42.266
tors. eta vs tors. theta energy: -83.987
Dist. restrs. and SS energy: 3.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -977.597234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.597234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.767302 (E_RNA)
where:
Base-Base interactions energy: -674.326
where: short stacking energy: -268.915
Base-Backbone interact. energy: -1.518
local terms energy: -310.923329
where:
bonds (distance) C4'-P energy: -68.347
bonds (distance) P-C4' energy: -57.871
flat angles C4'-P-C4' energy: -67.259
flat angles P-C4'-P energy: -50.374
tors. eta vs tors. theta energy: -67.072
Dist. restrs. and SS energy: 9.170 (S_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: 339
Temperature: 1.200000
Total energy: -991.798340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.798340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.971541 (E_RNA)
where:
Base-Base interactions energy: -684.625
where: short stacking energy: -265.730
Base-Backbone interact. energy: -2.425
local terms energy: -309.921979
where:
bonds (distance) C4'-P energy: -62.834
bonds (distance) P-C4' energy: -59.975
flat angles C4'-P-C4' energy: -70.885
flat angles P-C4'-P energy: -35.212
tors. eta vs tors. theta energy: -81.017
Dist. restrs. and SS energy: 5.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -907.810165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.810165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.489827 (E_RNA)
where:
Base-Base interactions energy: -646.303
where: short stacking energy: -254.962
Base-Backbone interact. energy: -0.129
local terms energy: -267.057702
where:
bonds (distance) C4'-P energy: -53.160
bonds (distance) P-C4' energy: -45.438
flat angles C4'-P-C4' energy: -62.820
flat angles P-C4'-P energy: -42.800
tors. eta vs tors. theta energy: -62.840
Dist. restrs. and SS energy: 5.680 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -891.246974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.246974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.639569 (E_RNA)
where:
Base-Base interactions energy: -642.034
where: short stacking energy: -244.146
Base-Backbone interact. energy: 0.249
local terms energy: -255.853959
where:
bonds (distance) C4'-P energy: -31.814
bonds (distance) P-C4' energy: -58.987
flat angles C4'-P-C4' energy: -58.927
flat angles P-C4'-P energy: -36.022
tors. eta vs tors. theta energy: -70.104
Dist. restrs. and SS energy: 6.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -813.381895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.381895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.802714 (E_RNA)
where:
Base-Base interactions energy: -565.305
where: short stacking energy: -221.580
Base-Backbone interact. energy: 0.980
local terms energy: -258.477508
where:
bonds (distance) C4'-P energy: -52.566
bonds (distance) P-C4' energy: -55.437
flat angles C4'-P-C4' energy: -53.863
flat angles P-C4'-P energy: -45.039
tors. eta vs tors. theta energy: -51.571
Dist. restrs. and SS energy: 9.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -1210.240015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.240015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.888015 (E_RNA)
where:
Base-Base interactions energy: -850.787
where: short stacking energy: -358.613
Base-Backbone interact. energy: -1.765
local terms energy: -362.335947
where:
bonds (distance) C4'-P energy: -69.594
bonds (distance) P-C4' energy: -72.896
flat angles C4'-P-C4' energy: -82.470
flat angles P-C4'-P energy: -42.211
tors. eta vs tors. theta energy: -95.164
Dist. restrs. and SS energy: 4.648 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -1179.567613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.567613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.028290 (E_RNA)
where:
Base-Base interactions energy: -838.432
where: short stacking energy: -329.364
Base-Backbone interact. energy: -1.790
local terms energy: -342.806382
where:
bonds (distance) C4'-P energy: -64.511
bonds (distance) P-C4' energy: -57.482
flat angles C4'-P-C4' energy: -75.058
flat angles P-C4'-P energy: -47.920
tors. eta vs tors. theta energy: -97.835
Dist. restrs. and SS energy: 3.461 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -1133.540428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.540428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.061706 (E_RNA)
where:
Base-Base interactions energy: -781.041
where: short stacking energy: -334.113
Base-Backbone interact. energy: -0.728
local terms energy: -355.292392
where:
bonds (distance) C4'-P energy: -67.656
bonds (distance) P-C4' energy: -67.948
flat angles C4'-P-C4' energy: -75.207
flat angles P-C4'-P energy: -41.257
tors. eta vs tors. theta energy: -103.223
Dist. restrs. and SS energy: 3.521 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -1091.177944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.177944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.707462 (E_RNA)
where:
Base-Base interactions energy: -751.541
where: short stacking energy: -312.790
Base-Backbone interact. energy: -1.655
local terms energy: -340.511498
where:
bonds (distance) C4'-P energy: -62.966
bonds (distance) P-C4' energy: -66.913
flat angles C4'-P-C4' energy: -74.171
flat angles P-C4'-P energy: -42.239
tors. eta vs tors. theta energy: -94.222
Dist. restrs. and SS energy: 2.530 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -1050.085362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.085362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.968612 (E_RNA)
where:
Base-Base interactions energy: -719.416
where: short stacking energy: -295.282
Base-Backbone interact. energy: -3.142
local terms energy: -330.410667
where:
bonds (distance) C4'-P energy: -66.948
bonds (distance) P-C4' energy: -64.743
flat angles C4'-P-C4' energy: -70.846
flat angles P-C4'-P energy: -49.396
tors. eta vs tors. theta energy: -78.477
Dist. restrs. and SS energy: 2.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -965.078273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.078273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.366303 (E_RNA)
where:
Base-Base interactions energy: -681.190
where: short stacking energy: -271.644
Base-Backbone interact. energy: -0.421
local terms energy: -288.754483
where:
bonds (distance) C4'-P energy: -45.620
bonds (distance) P-C4' energy: -57.805
flat angles C4'-P-C4' energy: -67.655
flat angles P-C4'-P energy: -43.757
tors. eta vs tors. theta energy: -73.917
Dist. restrs. and SS energy: 5.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -951.919160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.919160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.410074 (E_RNA)
where:
Base-Base interactions energy: -668.497
where: short stacking energy: -266.173
Base-Backbone interact. energy: -0.369
local terms energy: -286.544339
where:
bonds (distance) C4'-P energy: -45.092
bonds (distance) P-C4' energy: -56.157
flat angles C4'-P-C4' energy: -66.540
flat angles P-C4'-P energy: -52.721
tors. eta vs tors. theta energy: -66.035
Dist. restrs. and SS energy: 3.491 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -891.822279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.822279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.080627 (E_RNA)
where:
Base-Base interactions energy: -628.269
where: short stacking energy: -256.157
Base-Backbone interact. energy: -2.024
local terms energy: -267.787905
where:
bonds (distance) C4'-P energy: -58.606
bonds (distance) P-C4' energy: -55.033
flat angles C4'-P-C4' energy: -56.869
flat angles P-C4'-P energy: -37.772
tors. eta vs tors. theta energy: -59.507
Dist. restrs. and SS energy: 6.258 (S_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: 340
Temperature: 1.300000
Total energy: -902.094602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.094602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.900916 (E_RNA)
where:
Base-Base interactions energy: -635.320
where: short stacking energy: -269.825
Base-Backbone interact. energy: -0.649
local terms energy: -273.932270
where:
bonds (distance) C4'-P energy: -50.591
bonds (distance) P-C4' energy: -47.932
flat angles C4'-P-C4' energy: -59.674
flat angles P-C4'-P energy: -37.731
tors. eta vs tors. theta energy: -78.004
Dist. restrs. and SS energy: 7.806 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -823.344234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.344234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.540016 (E_RNA)
where:
Base-Base interactions energy: -594.237
where: short stacking energy: -231.046
Base-Backbone interact. energy: -1.862
local terms energy: -238.441144
where:
bonds (distance) C4'-P energy: -48.728
bonds (distance) P-C4' energy: -50.379
flat angles C4'-P-C4' energy: -50.141
flat angles P-C4'-P energy: -35.110
tors. eta vs tors. theta energy: -54.083
Dist. restrs. and SS energy: 11.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -1218.800158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.800158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.488836 (E_RNA)
where:
Base-Base interactions energy: -848.217
where: short stacking energy: -351.676
Base-Backbone interact. energy: -2.991
local terms energy: -370.280930
where:
bonds (distance) C4'-P energy: -67.734
bonds (distance) P-C4' energy: -70.619
flat angles C4'-P-C4' energy: -78.729
flat angles P-C4'-P energy: -50.950
tors. eta vs tors. theta energy: -102.249
Dist. restrs. and SS energy: 2.689 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -1173.539302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.539302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.101684 (E_RNA)
where:
Base-Base interactions energy: -828.914
where: short stacking energy: -324.577
Base-Backbone interact. energy: -0.976
local terms energy: -346.211348
where:
bonds (distance) C4'-P energy: -62.974
bonds (distance) P-C4' energy: -71.121
flat angles C4'-P-C4' energy: -71.338
flat angles P-C4'-P energy: -53.642
tors. eta vs tors. theta energy: -87.136
Dist. restrs. and SS energy: 2.562 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -1143.860006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.860006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.087336 (E_RNA)
where:
Base-Base interactions energy: -803.805
where: short stacking energy: -339.904
Base-Backbone interact. energy: -2.154
local terms energy: -343.128582
where:
bonds (distance) C4'-P energy: -61.898
bonds (distance) P-C4' energy: -68.868
flat angles C4'-P-C4' energy: -62.476
flat angles P-C4'-P energy: -50.948
tors. eta vs tors. theta energy: -98.939
Dist. restrs. and SS energy: 5.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -1110.389189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.389189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.421136 (E_RNA)
where:
Base-Base interactions energy: -787.149
where: short stacking energy: -326.268
Base-Backbone interact. energy: -2.309
local terms energy: -323.962643
where:
bonds (distance) C4'-P energy: -62.459
bonds (distance) P-C4' energy: -63.628
flat angles C4'-P-C4' energy: -70.269
flat angles P-C4'-P energy: -41.250
tors. eta vs tors. theta energy: -86.357
Dist. restrs. and SS energy: 3.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -1091.588436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.588436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.220447 (E_RNA)
where:
Base-Base interactions energy: -755.367
where: short stacking energy: -311.201
Base-Backbone interact. energy: -1.223
local terms energy: -338.630818
where:
bonds (distance) C4'-P energy: -62.446
bonds (distance) P-C4' energy: -67.571
flat angles C4'-P-C4' energy: -72.323
flat angles P-C4'-P energy: -49.250
tors. eta vs tors. theta energy: -87.041
Dist. restrs. and SS energy: 3.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -962.502970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.502970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.463990 (E_RNA)
where:
Base-Base interactions energy: -681.644
where: short stacking energy: -260.005
Base-Backbone interact. energy: 0.370
local terms energy: -290.189762
where:
bonds (distance) C4'-P energy: -49.400
bonds (distance) P-C4' energy: -61.850
flat angles C4'-P-C4' energy: -67.477
flat angles P-C4'-P energy: -40.832
tors. eta vs tors. theta energy: -70.631
Dist. restrs. and SS energy: 8.961 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -948.073342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.073342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.510658 (E_RNA)
where:
Base-Base interactions energy: -657.529
where: short stacking energy: -250.375
Base-Backbone interact. energy: 1.337
local terms energy: -295.318256
where:
bonds (distance) C4'-P energy: -65.189
bonds (distance) P-C4' energy: -62.992
flat angles C4'-P-C4' energy: -62.081
flat angles P-C4'-P energy: -43.973
tors. eta vs tors. theta energy: -61.084
Dist. restrs. and SS energy: 3.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -925.421215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.421215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.510914 (E_RNA)
where:
Base-Base interactions energy: -642.546
where: short stacking energy: -258.306
Base-Backbone interact. energy: -0.734
local terms energy: -288.230807
where:
bonds (distance) C4'-P energy: -53.069
bonds (distance) P-C4' energy: -51.702
flat angles C4'-P-C4' energy: -67.731
flat angles P-C4'-P energy: -44.306
tors. eta vs tors. theta energy: -71.422
Dist. restrs. and SS energy: 6.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -864.483448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.483448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.262784 (E_RNA)
where:
Base-Base interactions energy: -631.984
where: short stacking energy: -245.760
Base-Backbone interact. energy: 5.239
local terms energy: -245.517653
where:
bonds (distance) C4'-P energy: -41.879
bonds (distance) P-C4' energy: -54.611
flat angles C4'-P-C4' energy: -69.933
flat angles P-C4'-P energy: -31.603
tors. eta vs tors. theta energy: -47.492
Dist. restrs. and SS energy: 7.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -789.231910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.231910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.208004 (E_RNA)
where:
Base-Base interactions energy: -551.874
where: short stacking energy: -210.661
Base-Backbone interact. energy: -1.402
local terms energy: -247.931819
where:
bonds (distance) C4'-P energy: -49.864
bonds (distance) P-C4' energy: -56.086
flat angles C4'-P-C4' energy: -49.797
flat angles P-C4'-P energy: -45.545
tors. eta vs tors. theta energy: -46.640
Dist. restrs. and SS energy: 11.976 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -1200.567359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.567359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.207832 (E_RNA)
where:
Base-Base interactions energy: -846.674
where: short stacking energy: -326.991
Base-Backbone interact. energy: 1.037
local terms energy: -357.570836
where:
bonds (distance) C4'-P energy: -72.572
bonds (distance) P-C4' energy: -63.104
flat angles C4'-P-C4' energy: -75.656
flat angles P-C4'-P energy: -51.650
tors. eta vs tors. theta energy: -94.589
Dist. restrs. and SS energy: 2.640 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -1206.109272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.109272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.153832 (E_RNA)
where:
Base-Base interactions energy: -855.345
where: short stacking energy: -334.738
Base-Backbone interact. energy: -1.362
local terms energy: -352.446413
where:
bonds (distance) C4'-P energy: -68.254
bonds (distance) P-C4' energy: -62.654
flat angles C4'-P-C4' energy: -74.350
flat angles P-C4'-P energy: -48.260
tors. eta vs tors. theta energy: -98.928
Dist. restrs. and SS energy: 3.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -1131.898785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.898785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.868931 (E_RNA)
where:
Base-Base interactions energy: -799.895
where: short stacking energy: -327.033
Base-Backbone interact. energy: -0.234
local terms energy: -335.739337
where:
bonds (distance) C4'-P energy: -59.666
bonds (distance) P-C4' energy: -62.127
flat angles C4'-P-C4' energy: -70.427
flat angles P-C4'-P energy: -49.109
tors. eta vs tors. theta energy: -94.410
Dist. restrs. and SS energy: 3.970 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -1130.768950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.768950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.132799 (E_RNA)
where:
Base-Base interactions energy: -796.958
where: short stacking energy: -333.919
Base-Backbone interact. energy: -0.805
local terms energy: -342.369198
where:
bonds (distance) C4'-P energy: -69.665
bonds (distance) P-C4' energy: -49.742
flat angles C4'-P-C4' energy: -77.188
flat angles P-C4'-P energy: -45.180
tors. eta vs tors. theta energy: -100.595
Dist. restrs. and SS energy: 9.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -1078.063700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.063700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.107687 (E_RNA)
where:
Base-Base interactions energy: -752.740
where: short stacking energy: -284.883
Base-Backbone interact. energy: -0.308
local terms energy: -328.059504
where:
bonds (distance) C4'-P energy: -58.161
bonds (distance) P-C4' energy: -65.877
flat angles C4'-P-C4' energy: -76.761
flat angles P-C4'-P energy: -45.293
tors. eta vs tors. theta energy: -81.968
Dist. restrs. and SS energy: 3.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -1012.629277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.629277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.210564 (E_RNA)
where:
Base-Base interactions energy: -721.264
where: short stacking energy: -270.887
Base-Backbone interact. energy: 0.989
local terms energy: -298.935463
where:
bonds (distance) C4'-P energy: -66.004
bonds (distance) P-C4' energy: -48.706
flat angles C4'-P-C4' energy: -63.094
flat angles P-C4'-P energy: -45.650
tors. eta vs tors. theta energy: -75.482
Dist. restrs. and SS energy: 6.581 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -947.097724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.097724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.833699 (E_RNA)
where:
Base-Base interactions energy: -659.170
where: short stacking energy: -262.309
Base-Backbone interact. energy: 0.676
local terms energy: -292.339404
where:
bonds (distance) C4'-P energy: -59.888
bonds (distance) P-C4' energy: -61.704
flat angles C4'-P-C4' energy: -65.658
flat angles P-C4'-P energy: -36.681
tors. eta vs tors. theta energy: -68.407
Dist. restrs. and SS energy: 3.736 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -911.118684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.118684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.952840 (E_RNA)
where:
Base-Base interactions energy: -631.218
where: short stacking energy: -243.775
Base-Backbone interact. energy: -0.535
local terms energy: -282.199665
where:
bonds (distance) C4'-P energy: -57.230
bonds (distance) P-C4' energy: -62.750
flat angles C4'-P-C4' energy: -66.554
flat angles P-C4'-P energy: -36.717
tors. eta vs tors. theta energy: -58.949
Dist. restrs. and SS energy: 2.834 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -865.756625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.756625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.590884 (E_RNA)
where:
Base-Base interactions energy: -597.675
where: short stacking energy: -249.441
Base-Backbone interact. energy: -0.802
local terms energy: -275.113903
where:
bonds (distance) C4'-P energy: -47.668
bonds (distance) P-C4' energy: -61.286
flat angles C4'-P-C4' energy: -61.562
flat angles P-C4'-P energy: -39.565
tors. eta vs tors. theta energy: -65.034
Dist. restrs. and SS energy: 7.834 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -847.025878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.025878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.938257 (E_RNA)
where:
Base-Base interactions energy: -592.167
where: short stacking energy: -220.276
Base-Backbone interact. energy: 3.065
local terms energy: -263.836618
where:
bonds (distance) C4'-P energy: -54.626
bonds (distance) P-C4' energy: -64.865
flat angles C4'-P-C4' energy: -60.423
flat angles P-C4'-P energy: -29.223
tors. eta vs tors. theta energy: -54.700
Dist. restrs. and SS energy: 5.912 (S_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: 343
Temperature: 0.900000
Total energy: -1196.250025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.250025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.154780 (E_RNA)
where:
Base-Base interactions energy: -852.990
where: short stacking energy: -345.566
Base-Backbone interact. energy: 1.439
local terms energy: -347.604459
where:
bonds (distance) C4'-P energy: -63.883
bonds (distance) P-C4' energy: -72.879
flat angles C4'-P-C4' energy: -61.621
flat angles P-C4'-P energy: -56.893
tors. eta vs tors. theta energy: -92.328
Dist. restrs. and SS energy: 2.905 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -1192.890755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.890755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.999293 (E_RNA)
where:
Base-Base interactions energy: -843.689
where: short stacking energy: -342.370
Base-Backbone interact. energy: -3.322
local terms energy: -348.988810
where:
bonds (distance) C4'-P energy: -59.723
bonds (distance) P-C4' energy: -58.841
flat angles C4'-P-C4' energy: -74.131
flat angles P-C4'-P energy: -55.724
tors. eta vs tors. theta energy: -100.570
Dist. restrs. and SS energy: 3.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -1126.626897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.626897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.932944 (E_RNA)
where:
Base-Base interactions energy: -769.587
where: short stacking energy: -334.414
Base-Backbone interact. energy: -2.811
local terms energy: -357.534551
where:
bonds (distance) C4'-P energy: -69.076
bonds (distance) P-C4' energy: -64.756
flat angles C4'-P-C4' energy: -74.682
flat angles P-C4'-P energy: -48.327
tors. eta vs tors. theta energy: -100.694
Dist. restrs. and SS energy: 3.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -1060.214395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.214395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.201305 (E_RNA)
where:
Base-Base interactions energy: -742.280
where: short stacking energy: -295.182
Base-Backbone interact. energy: -2.766
local terms energy: -318.156026
where:
bonds (distance) C4'-P energy: -59.089
bonds (distance) P-C4' energy: -65.315
flat angles C4'-P-C4' energy: -60.923
flat angles P-C4'-P energy: -50.666
tors. eta vs tors. theta energy: -82.164
Dist. restrs. and SS energy: 2.987 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -1064.722923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.722923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.989102 (E_RNA)
where:
Base-Base interactions energy: -754.980
where: short stacking energy: -303.005
Base-Backbone interact. energy: -1.233
local terms energy: -311.775616
where:
bonds (distance) C4'-P energy: -54.491
bonds (distance) P-C4' energy: -70.926
flat angles C4'-P-C4' energy: -56.890
flat angles P-C4'-P energy: -42.709
tors. eta vs tors. theta energy: -86.759
Dist. restrs. and SS energy: 3.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -991.233323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.233323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.630869 (E_RNA)
where:
Base-Base interactions energy: -681.163
where: short stacking energy: -271.564
Base-Backbone interact. energy: -0.779
local terms energy: -318.688558
where:
bonds (distance) C4'-P energy: -59.420
bonds (distance) P-C4' energy: -69.952
flat angles C4'-P-C4' energy: -64.750
flat angles P-C4'-P energy: -43.818
tors. eta vs tors. theta energy: -80.748
Dist. restrs. and SS energy: 9.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -930.878188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.878188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.821253 (E_RNA)
where:
Base-Base interactions energy: -650.078
where: short stacking energy: -269.476
Base-Backbone interact. energy: -0.409
local terms energy: -284.334437
where:
bonds (distance) C4'-P energy: -52.293
bonds (distance) P-C4' energy: -49.956
flat angles C4'-P-C4' energy: -65.178
flat angles P-C4'-P energy: -48.444
tors. eta vs tors. theta energy: -68.464
Dist. restrs. and SS energy: 3.943 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -907.358118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.358118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.519304 (E_RNA)
where:
Base-Base interactions energy: -630.751
where: short stacking energy: -249.522
Base-Backbone interact. energy: 3.311
local terms energy: -292.078983
where:
bonds (distance) C4'-P energy: -59.270
bonds (distance) P-C4' energy: -63.810
flat angles C4'-P-C4' energy: -65.494
flat angles P-C4'-P energy: -48.334
tors. eta vs tors. theta energy: -55.171
Dist. restrs. and SS energy: 12.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -878.314933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.314933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.531666 (E_RNA)
where:
Base-Base interactions energy: -620.494
where: short stacking energy: -246.087
Base-Backbone interact. energy: -0.132
local terms energy: -261.906354
where:
bonds (distance) C4'-P energy: -50.355
bonds (distance) P-C4' energy: -61.398
flat angles C4'-P-C4' energy: -59.951
flat angles P-C4'-P energy: -37.748
tors. eta vs tors. theta energy: -52.455
Dist. restrs. and SS energy: 4.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -857.178105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.178105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.902390 (E_RNA)
where:
Base-Base interactions energy: -607.775
where: short stacking energy: -236.240
Base-Backbone interact. energy: -1.882
local terms energy: -258.244633
where:
bonds (distance) C4'-P energy: -52.274
bonds (distance) P-C4' energy: -51.474
flat angles C4'-P-C4' energy: -64.183
flat angles P-C4'-P energy: -44.116
tors. eta vs tors. theta energy: -46.197
Dist. restrs. and SS energy: 10.724 (S_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: 344
Temperature: 0.900000
Total energy: -1211.012115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.012115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.443872 (E_RNA)
where:
Base-Base interactions energy: -851.851
where: short stacking energy: -345.464
Base-Backbone interact. energy: -3.436
local terms energy: -358.157467
where:
bonds (distance) C4'-P energy: -77.887
bonds (distance) P-C4' energy: -64.675
flat angles C4'-P-C4' energy: -70.653
flat angles P-C4'-P energy: -53.058
tors. eta vs tors. theta energy: -91.885
Dist. restrs. and SS energy: 2.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -1168.138376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.138376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.811116 (E_RNA)
where:
Base-Base interactions energy: -799.012
where: short stacking energy: -335.179
Base-Backbone interact. energy: -0.089
local terms energy: -372.709923
where:
bonds (distance) C4'-P energy: -68.276
bonds (distance) P-C4' energy: -74.579
flat angles C4'-P-C4' energy: -76.509
flat angles P-C4'-P energy: -58.509
tors. eta vs tors. theta energy: -94.837
Dist. restrs. and SS energy: 3.673 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -1144.095586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.095586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.934185 (E_RNA)
where:
Base-Base interactions energy: -798.933
where: short stacking energy: -324.227
Base-Backbone interact. energy: -1.124
local terms energy: -347.877617
where:
bonds (distance) C4'-P energy: -66.495
bonds (distance) P-C4' energy: -64.840
flat angles C4'-P-C4' energy: -72.265
flat angles P-C4'-P energy: -42.572
tors. eta vs tors. theta energy: -101.706
Dist. restrs. and SS energy: 3.839 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -1079.822881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.822881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.467120 (E_RNA)
where:
Base-Base interactions energy: -753.482
where: short stacking energy: -298.937
Base-Backbone interact. energy: -2.400
local terms energy: -326.584837
where:
bonds (distance) C4'-P energy: -67.007
bonds (distance) P-C4' energy: -65.788
flat angles C4'-P-C4' energy: -78.526
flat angles P-C4'-P energy: -39.593
tors. eta vs tors. theta energy: -75.671
Dist. restrs. and SS energy: 2.644 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -1006.583082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.583082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.745355 (E_RNA)
where:
Base-Base interactions energy: -703.930
where: short stacking energy: -290.395
Base-Backbone interact. energy: -1.264
local terms energy: -306.551278
where:
bonds (distance) C4'-P energy: -49.675
bonds (distance) P-C4' energy: -68.951
flat angles C4'-P-C4' energy: -71.657
flat angles P-C4'-P energy: -36.409
tors. eta vs tors. theta energy: -79.860
Dist. restrs. and SS energy: 5.162 (S_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: 344
Temperature: 1.150000
Total energy: -1038.032676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.032676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.541360 (E_RNA)
where:
Base-Base interactions energy: -724.496
where: short stacking energy: -315.965
Base-Backbone interact. energy: -2.303
local terms energy: -314.742523
where:
bonds (distance) C4'-P energy: -51.358
bonds (distance) P-C4' energy: -60.717
flat angles C4'-P-C4' energy: -73.398
flat angles P-C4'-P energy: -42.363
tors. eta vs tors. theta energy: -86.907
Dist. restrs. and SS energy: 3.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -947.806681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.806681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.468627 (E_RNA)
where:
Base-Base interactions energy: -661.343
where: short stacking energy: -256.951
Base-Backbone interact. energy: 0.481
local terms energy: -290.606510
where:
bonds (distance) C4'-P energy: -61.816
bonds (distance) P-C4' energy: -65.821
flat angles C4'-P-C4' energy: -56.479
flat angles P-C4'-P energy: -42.445
tors. eta vs tors. theta energy: -64.046
Dist. restrs. and SS energy: 3.662 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -907.306724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.306724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.278003 (E_RNA)
where:
Base-Base interactions energy: -626.147
where: short stacking energy: -249.142
Base-Backbone interact. energy: 4.954
local terms energy: -298.085078
where:
bonds (distance) C4'-P energy: -65.632
bonds (distance) P-C4' energy: -69.536
flat angles C4'-P-C4' energy: -63.466
flat angles P-C4'-P energy: -42.653
tors. eta vs tors. theta energy: -56.798
Dist. restrs. and SS energy: 11.971 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -876.314749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.314749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.307120 (E_RNA)
where:
Base-Base interactions energy: -620.227
where: short stacking energy: -236.229
Base-Backbone interact. energy: -0.945
local terms energy: -263.135094
where:
bonds (distance) C4'-P energy: -40.080
bonds (distance) P-C4' energy: -69.997
flat angles C4'-P-C4' energy: -57.049
flat angles P-C4'-P energy: -39.962
tors. eta vs tors. theta energy: -56.048
Dist. restrs. and SS energy: 7.992 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -829.419096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.419096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.663101 (E_RNA)
where:
Base-Base interactions energy: -582.635
where: short stacking energy: -235.969
Base-Backbone interact. energy: 1.589
local terms energy: -261.617414
where:
bonds (distance) C4'-P energy: -45.506
bonds (distance) P-C4' energy: -56.147
flat angles C4'-P-C4' energy: -56.135
flat angles P-C4'-P energy: -45.800
tors. eta vs tors. theta energy: -58.030
Dist. restrs. and SS energy: 13.244 (S_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: 345
Temperature: 0.900000
Total energy: -1203.932932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.932932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.578012 (E_RNA)
where:
Base-Base interactions energy: -845.047
where: short stacking energy: -336.814
Base-Backbone interact. energy: 0.625
local terms energy: -362.156595
where:
bonds (distance) C4'-P energy: -61.428
bonds (distance) P-C4' energy: -77.260
flat angles C4'-P-C4' energy: -71.351
flat angles P-C4'-P energy: -56.925
tors. eta vs tors. theta energy: -95.192
Dist. restrs. and SS energy: 2.645 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -1168.987830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.987830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.310114 (E_RNA)
where:
Base-Base interactions energy: -826.587
where: short stacking energy: -341.790
Base-Backbone interact. energy: -1.439
local terms energy: -344.284429
where:
bonds (distance) C4'-P energy: -57.709
bonds (distance) P-C4' energy: -63.791
flat angles C4'-P-C4' energy: -69.255
flat angles P-C4'-P energy: -56.586
tors. eta vs tors. theta energy: -96.942
Dist. restrs. and SS energy: 3.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -1159.498692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.498692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.245176 (E_RNA)
where:
Base-Base interactions energy: -806.811
where: short stacking energy: -326.257
Base-Backbone interact. energy: -0.459
local terms energy: -354.975429
where:
bonds (distance) C4'-P energy: -65.724
bonds (distance) P-C4' energy: -65.362
flat angles C4'-P-C4' energy: -84.961
flat angles P-C4'-P energy: -50.018
tors. eta vs tors. theta energy: -88.910
Dist. restrs. and SS energy: 2.746 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -1115.316575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.316575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.258792 (E_RNA)
where:
Base-Base interactions energy: -787.194
where: short stacking energy: -331.014
Base-Backbone interact. energy: 0.368
local terms energy: -331.432773
where:
bonds (distance) C4'-P energy: -61.057
bonds (distance) P-C4' energy: -61.807
flat angles C4'-P-C4' energy: -73.819
flat angles P-C4'-P energy: -38.948
tors. eta vs tors. theta energy: -95.801
Dist. restrs. and SS energy: 2.942 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -1005.374262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.374262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.814076 (E_RNA)
where:
Base-Base interactions energy: -698.800
where: short stacking energy: -289.909
Base-Backbone interact. energy: -3.699
local terms energy: -306.314402
where:
bonds (distance) C4'-P energy: -61.743
bonds (distance) P-C4' energy: -63.054
flat angles C4'-P-C4' energy: -60.991
flat angles P-C4'-P energy: -44.748
tors. eta vs tors. theta energy: -75.779
Dist. restrs. and SS energy: 3.440 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -1004.999417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.999417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.192341 (E_RNA)
where:
Base-Base interactions energy: -706.364
where: short stacking energy: -282.711
Base-Backbone interact. energy: -1.594
local terms energy: -304.235085
where:
bonds (distance) C4'-P energy: -65.174
bonds (distance) P-C4' energy: -58.838
flat angles C4'-P-C4' energy: -67.611
flat angles P-C4'-P energy: -40.816
tors. eta vs tors. theta energy: -71.796
Dist. restrs. and SS energy: 7.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -930.436127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.436127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.963460 (E_RNA)
where:
Base-Base interactions energy: -658.700
where: short stacking energy: -256.031
Base-Backbone interact. energy: -2.057
local terms energy: -274.206148
where:
bonds (distance) C4'-P energy: -57.970
bonds (distance) P-C4' energy: -58.424
flat angles C4'-P-C4' energy: -58.244
flat angles P-C4'-P energy: -37.941
tors. eta vs tors. theta energy: -61.627
Dist. restrs. and SS energy: 4.527 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -901.336463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.336463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.006929 (E_RNA)
where:
Base-Base interactions energy: -641.498
where: short stacking energy: -239.696
Base-Backbone interact. energy: 1.156
local terms energy: -274.664806
where:
bonds (distance) C4'-P energy: -63.312
bonds (distance) P-C4' energy: -61.347
flat angles C4'-P-C4' energy: -65.270
flat angles P-C4'-P energy: -24.521
tors. eta vs tors. theta energy: -60.213
Dist. restrs. and SS energy: 13.670 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -873.966022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.966022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.717120 (E_RNA)
where:
Base-Base interactions energy: -591.862
where: short stacking energy: -239.354
Base-Backbone interact. energy: -1.915
local terms energy: -289.939918
where:
bonds (distance) C4'-P energy: -65.180
bonds (distance) P-C4' energy: -62.190
flat angles C4'-P-C4' energy: -68.112
flat angles P-C4'-P energy: -36.158
tors. eta vs tors. theta energy: -58.300
Dist. restrs. and SS energy: 9.751 (S_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: 345
Temperature: 1.350000
Total energy: -805.910566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.910566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.636110 (E_RNA)
where:
Base-Base interactions energy: -573.039
where: short stacking energy: -220.850
Base-Backbone interact. energy: -1.971
local terms energy: -236.625791
where:
bonds (distance) C4'-P energy: -44.849
bonds (distance) P-C4' energy: -43.858
flat angles C4'-P-C4' energy: -52.699
flat angles P-C4'-P energy: -41.351
tors. eta vs tors. theta energy: -53.868
Dist. restrs. and SS energy: 5.726 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -1183.613787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.613787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.403774 (E_RNA)
where:
Base-Base interactions energy: -828.390
where: short stacking energy: -327.506
Base-Backbone interact. energy: -3.055
local terms energy: -354.958611
where:
bonds (distance) C4'-P energy: -65.050
bonds (distance) P-C4' energy: -73.486
flat angles C4'-P-C4' energy: -72.388
flat angles P-C4'-P energy: -49.944
tors. eta vs tors. theta energy: -94.090
Dist. restrs. and SS energy: 2.790 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -1173.084682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.084682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.527481 (E_RNA)
where:
Base-Base interactions energy: -807.941
where: short stacking energy: -334.995
Base-Backbone interact. energy: -5.103
local terms energy: -363.484154
where:
bonds (distance) C4'-P energy: -67.682
bonds (distance) P-C4' energy: -69.950
flat angles C4'-P-C4' energy: -80.506
flat angles P-C4'-P energy: -56.814
tors. eta vs tors. theta energy: -88.533
Dist. restrs. and SS energy: 3.443 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -1150.726102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.726102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.586654 (E_RNA)
where:
Base-Base interactions energy: -783.746
where: short stacking energy: -325.756
Base-Backbone interact. energy: -2.039
local terms energy: -367.801687
where:
bonds (distance) C4'-P energy: -72.067
bonds (distance) P-C4' energy: -67.126
flat angles C4'-P-C4' energy: -78.445
flat angles P-C4'-P energy: -54.545
tors. eta vs tors. theta energy: -95.618
Dist. restrs. and SS energy: 2.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -1094.296876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.296876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.320669 (E_RNA)
where:
Base-Base interactions energy: -758.122
where: short stacking energy: -310.285
Base-Backbone interact. energy: -0.982
local terms energy: -339.216512
where:
bonds (distance) C4'-P energy: -64.945
bonds (distance) P-C4' energy: -59.383
flat angles C4'-P-C4' energy: -73.466
flat angles P-C4'-P energy: -51.736
tors. eta vs tors. theta energy: -89.686
Dist. restrs. and SS energy: 4.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -1029.510203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.510203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.457097 (E_RNA)
where:
Base-Base interactions energy: -719.495
where: short stacking energy: -278.351
Base-Backbone interact. energy: -2.125
local terms energy: -313.837780
where:
bonds (distance) C4'-P energy: -60.904
bonds (distance) P-C4' energy: -65.779
flat angles C4'-P-C4' energy: -66.492
flat angles P-C4'-P energy: -48.728
tors. eta vs tors. theta energy: -71.935
Dist. restrs. and SS energy: 5.947 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -981.975340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.975340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.984625 (E_RNA)
where:
Base-Base interactions energy: -677.664
where: short stacking energy: -272.566
Base-Backbone interact. energy: -1.127
local terms energy: -309.193259
where:
bonds (distance) C4'-P energy: -69.500
bonds (distance) P-C4' energy: -62.181
flat angles C4'-P-C4' energy: -62.006
flat angles P-C4'-P energy: -46.356
tors. eta vs tors. theta energy: -69.151
Dist. restrs. and SS energy: 6.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -918.148564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.148564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.808721 (E_RNA)
where:
Base-Base interactions energy: -636.396
where: short stacking energy: -259.174
Base-Backbone interact. energy: -1.335
local terms energy: -285.077324
where:
bonds (distance) C4'-P energy: -53.732
bonds (distance) P-C4' energy: -57.242
flat angles C4'-P-C4' energy: -63.926
flat angles P-C4'-P energy: -49.718
tors. eta vs tors. theta energy: -60.459
Dist. restrs. and SS energy: 4.660 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -933.503856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.503856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.930541 (E_RNA)
where:
Base-Base interactions energy: -635.173
where: short stacking energy: -257.426
Base-Backbone interact. energy: -1.548
local terms energy: -304.209239
where:
bonds (distance) C4'-P energy: -62.418
bonds (distance) P-C4' energy: -63.763
flat angles C4'-P-C4' energy: -75.398
flat angles P-C4'-P energy: -31.482
tors. eta vs tors. theta energy: -71.148
Dist. restrs. and SS energy: 7.427 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -879.588725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.588725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.998505 (E_RNA)
where:
Base-Base interactions energy: -605.441
where: short stacking energy: -240.551
Base-Backbone interact. energy: -1.750
local terms energy: -278.807369
where:
bonds (distance) C4'-P energy: -51.515
bonds (distance) P-C4' energy: -51.545
flat angles C4'-P-C4' energy: -69.124
flat angles P-C4'-P energy: -42.545
tors. eta vs tors. theta energy: -64.078
Dist. restrs. and SS energy: 6.410 (S_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: 346
Temperature: 1.350000
Total energy: -808.924283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.924283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.279462 (E_RNA)
where:
Base-Base interactions energy: -576.398
where: short stacking energy: -225.572
Base-Backbone interact. energy: -1.019
local terms energy: -243.863069
where:
bonds (distance) C4'-P energy: -49.247
bonds (distance) P-C4' energy: -58.077
flat angles C4'-P-C4' energy: -53.475
flat angles P-C4'-P energy: -39.648
tors. eta vs tors. theta energy: -43.416
Dist. restrs. and SS energy: 12.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -1182.569224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.569224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.447382 (E_RNA)
where:
Base-Base interactions energy: -816.461
where: short stacking energy: -340.672
Base-Backbone interact. energy: -2.023
local terms energy: -367.962876
where:
bonds (distance) C4'-P energy: -61.625
bonds (distance) P-C4' energy: -70.842
flat angles C4'-P-C4' energy: -78.897
flat angles P-C4'-P energy: -63.823
tors. eta vs tors. theta energy: -92.775
Dist. restrs. and SS energy: 3.878 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -1170.115469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.115469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.643700 (E_RNA)
where:
Base-Base interactions energy: -831.597
where: short stacking energy: -338.085
Base-Backbone interact. energy: -2.107
local terms energy: -339.940094
where:
bonds (distance) C4'-P energy: -63.259
bonds (distance) P-C4' energy: -60.963
flat angles C4'-P-C4' energy: -76.608
flat angles P-C4'-P energy: -51.335
tors. eta vs tors. theta energy: -87.775
Dist. restrs. and SS energy: 3.528 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -1148.114986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.114986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.263200 (E_RNA)
where:
Base-Base interactions energy: -816.031
where: short stacking energy: -323.207
Base-Backbone interact. energy: -4.236
local terms energy: -330.996427
where:
bonds (distance) C4'-P energy: -63.608
bonds (distance) P-C4' energy: -61.559
flat angles C4'-P-C4' energy: -59.762
flat angles P-C4'-P energy: -50.782
tors. eta vs tors. theta energy: -95.285
Dist. restrs. and SS energy: 3.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -1101.425343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.425343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.165339 (E_RNA)
where:
Base-Base interactions energy: -777.214
where: short stacking energy: -332.677
Base-Backbone interact. energy: -0.759
local terms energy: -326.192836
where:
bonds (distance) C4'-P energy: -59.545
bonds (distance) P-C4' energy: -64.768
flat angles C4'-P-C4' energy: -70.326
flat angles P-C4'-P energy: -43.355
tors. eta vs tors. theta energy: -88.199
Dist. restrs. and SS energy: 2.740 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -1013.104426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.104426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.517536 (E_RNA)
where:
Base-Base interactions energy: -718.118
where: short stacking energy: -279.800
Base-Backbone interact. energy: -2.656
local terms energy: -298.744297
where:
bonds (distance) C4'-P energy: -54.682
bonds (distance) P-C4' energy: -47.008
flat angles C4'-P-C4' energy: -66.479
flat angles P-C4'-P energy: -54.584
tors. eta vs tors. theta energy: -75.991
Dist. restrs. and SS energy: 6.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -942.877278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.877278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.656807 (E_RNA)
where:
Base-Base interactions energy: -664.916
where: short stacking energy: -257.285
Base-Backbone interact. energy: -1.010
local terms energy: -280.731483
where:
bonds (distance) C4'-P energy: -61.658
bonds (distance) P-C4' energy: -65.658
flat angles C4'-P-C4' energy: -57.356
flat angles P-C4'-P energy: -42.273
tors. eta vs tors. theta energy: -53.787
Dist. restrs. and SS energy: 3.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -1002.930535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.930535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.286019 (E_RNA)
where:
Base-Base interactions energy: -712.857
where: short stacking energy: -292.230
Base-Backbone interact. energy: -1.624
local terms energy: -291.805660
where:
bonds (distance) C4'-P energy: -72.355
bonds (distance) P-C4' energy: -52.910
flat angles C4'-P-C4' energy: -45.637
flat angles P-C4'-P energy: -44.828
tors. eta vs tors. theta energy: -76.075
Dist. restrs. and SS energy: 3.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -917.227581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.227581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.110735 (E_RNA)
where:
Base-Base interactions energy: -656.521
where: short stacking energy: -249.610
Base-Backbone interact. energy: -2.080
local terms energy: -263.510017
where:
bonds (distance) C4'-P energy: -47.108
bonds (distance) P-C4' energy: -57.045
flat angles C4'-P-C4' energy: -64.767
flat angles P-C4'-P energy: -38.824
tors. eta vs tors. theta energy: -55.766
Dist. restrs. and SS energy: 4.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -856.161210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.161210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.732928 (E_RNA)
where:
Base-Base interactions energy: -609.296
where: short stacking energy: -224.948
Base-Backbone interact. energy: 1.704
local terms energy: -255.141228
where:
bonds (distance) C4'-P energy: -55.193
bonds (distance) P-C4' energy: -54.024
flat angles C4'-P-C4' energy: -60.411
flat angles P-C4'-P energy: -36.836
tors. eta vs tors. theta energy: -48.678
Dist. restrs. and SS energy: 6.572 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -838.728227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.728227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.164745 (E_RNA)
where:
Base-Base interactions energy: -597.939
where: short stacking energy: -221.906
Base-Backbone interact. energy: -0.823
local terms energy: -247.403560
where:
bonds (distance) C4'-P energy: -45.886
bonds (distance) P-C4' energy: -57.309
flat angles C4'-P-C4' energy: -48.563
flat angles P-C4'-P energy: -37.398
tors. eta vs tors. theta energy: -58.249
Dist. restrs. and SS energy: 7.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -1188.901379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.901379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.659108 (E_RNA)
where:
Base-Base interactions energy: -835.270
where: short stacking energy: -344.789
Base-Backbone interact. energy: -1.902
local terms energy: -354.487313
where:
bonds (distance) C4'-P energy: -68.708
bonds (distance) P-C4' energy: -63.420
flat angles C4'-P-C4' energy: -79.163
flat angles P-C4'-P energy: -52.756
tors. eta vs tors. theta energy: -90.440
Dist. restrs. and SS energy: 2.758 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -1167.234232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.234232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.557939 (E_RNA)
where:
Base-Base interactions energy: -818.298
where: short stacking energy: -328.161
Base-Backbone interact. energy: -2.906
local terms energy: -349.353444
where:
bonds (distance) C4'-P energy: -59.745
bonds (distance) P-C4' energy: -74.957
flat angles C4'-P-C4' energy: -73.862
flat angles P-C4'-P energy: -49.939
tors. eta vs tors. theta energy: -90.850
Dist. restrs. and SS energy: 3.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -1142.399139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.399139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.097753 (E_RNA)
where:
Base-Base interactions energy: -785.155
where: short stacking energy: -331.589
Base-Backbone interact. energy: -1.577
local terms energy: -359.365554
where:
bonds (distance) C4'-P energy: -64.117
bonds (distance) P-C4' energy: -71.447
flat angles C4'-P-C4' energy: -71.281
flat angles P-C4'-P energy: -50.741
tors. eta vs tors. theta energy: -101.780
Dist. restrs. and SS energy: 3.699 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -1093.252684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.252684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.627219 (E_RNA)
where:
Base-Base interactions energy: -749.243
where: short stacking energy: -307.678
Base-Backbone interact. energy: -1.793
local terms energy: -345.591097
where:
bonds (distance) C4'-P energy: -65.473
bonds (distance) P-C4' energy: -63.829
flat angles C4'-P-C4' energy: -78.073
flat angles P-C4'-P energy: -55.853
tors. eta vs tors. theta energy: -82.363
Dist. restrs. and SS energy: 3.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -967.935485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.935485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.412816 (E_RNA)
where:
Base-Base interactions energy: -678.406
where: short stacking energy: -281.175
Base-Backbone interact. energy: -1.730
local terms energy: -292.277230
where:
bonds (distance) C4'-P energy: -48.802
bonds (distance) P-C4' energy: -66.748
flat angles C4'-P-C4' energy: -60.867
flat angles P-C4'-P energy: -48.586
tors. eta vs tors. theta energy: -67.275
Dist. restrs. and SS energy: 4.477 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -972.127753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.127753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.955187 (E_RNA)
where:
Base-Base interactions energy: -674.332
where: short stacking energy: -257.072
Base-Backbone interact. energy: -3.182
local terms energy: -299.441494
where:
bonds (distance) C4'-P energy: -58.528
bonds (distance) P-C4' energy: -55.930
flat angles C4'-P-C4' energy: -72.295
flat angles P-C4'-P energy: -46.473
tors. eta vs tors. theta energy: -66.216
Dist. restrs. and SS energy: 4.827 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -993.703640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.703640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.413815 (E_RNA)
where:
Base-Base interactions energy: -709.417
where: short stacking energy: -275.219
Base-Backbone interact. energy: -1.340
local terms energy: -285.656268
where:
bonds (distance) C4'-P energy: -57.682
bonds (distance) P-C4' energy: -54.338
flat angles C4'-P-C4' energy: -68.182
flat angles P-C4'-P energy: -37.482
tors. eta vs tors. theta energy: -67.973
Dist. restrs. and SS energy: 2.710 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -907.489445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.489445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.856792 (E_RNA)
where:
Base-Base interactions energy: -644.438
where: short stacking energy: -256.579
Base-Backbone interact. energy: 2.254
local terms energy: -274.672791
where:
bonds (distance) C4'-P energy: -58.221
bonds (distance) P-C4' energy: -45.764
flat angles C4'-P-C4' energy: -61.842
flat angles P-C4'-P energy: -47.917
tors. eta vs tors. theta energy: -60.929
Dist. restrs. and SS energy: 9.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -868.771452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.771452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.680819 (E_RNA)
where:
Base-Base interactions energy: -618.112
where: short stacking energy: -232.499
Base-Backbone interact. energy: -2.189
local terms energy: -251.380241
where:
bonds (distance) C4'-P energy: -49.967
bonds (distance) P-C4' energy: -55.147
flat angles C4'-P-C4' energy: -53.332
flat angles P-C4'-P energy: -32.699
tors. eta vs tors. theta energy: -60.234
Dist. restrs. and SS energy: 2.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -851.188611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.188611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.505396 (E_RNA)
where:
Base-Base interactions energy: -612.574
where: short stacking energy: -235.429
Base-Backbone interact. energy: 5.498
local terms energy: -249.429489
where:
bonds (distance) C4'-P energy: -51.328
bonds (distance) P-C4' energy: -61.739
flat angles C4'-P-C4' energy: -59.071
flat angles P-C4'-P energy: -31.887
tors. eta vs tors. theta energy: -45.404
Dist. restrs. and SS energy: 5.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -1218.239014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.239014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.867850 (E_RNA)
where:
Base-Base interactions energy: -867.243
where: short stacking energy: -344.546
Base-Backbone interact. energy: -2.824
local terms energy: -350.800523
where:
bonds (distance) C4'-P energy: -57.206
bonds (distance) P-C4' energy: -68.774
flat angles C4'-P-C4' energy: -75.361
flat angles P-C4'-P energy: -55.397
tors. eta vs tors. theta energy: -94.062
Dist. restrs. and SS energy: 2.629 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -1161.421387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.421387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.408340 (E_RNA)
where:
Base-Base interactions energy: -804.721
where: short stacking energy: -330.194
Base-Backbone interact. energy: -3.791
local terms energy: -356.896777
where:
bonds (distance) C4'-P energy: -73.152
bonds (distance) P-C4' energy: -54.832
flat angles C4'-P-C4' energy: -78.213
flat angles P-C4'-P energy: -54.630
tors. eta vs tors. theta energy: -96.070
Dist. restrs. and SS energy: 3.987 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -1144.587682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.587682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.622038 (E_RNA)
where:
Base-Base interactions energy: -836.241
where: short stacking energy: -331.502
Base-Backbone interact. energy: 3.839
local terms energy: -315.220308
where:
bonds (distance) C4'-P energy: -59.061
bonds (distance) P-C4' energy: -57.626
flat angles C4'-P-C4' energy: -70.986
flat angles P-C4'-P energy: -43.430
tors. eta vs tors. theta energy: -84.117
Dist. restrs. and SS energy: 3.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -1061.690837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.690837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.021342 (E_RNA)
where:
Base-Base interactions energy: -730.152
where: short stacking energy: -309.753
Base-Backbone interact. energy: -2.334
local terms energy: -332.535456
where:
bonds (distance) C4'-P energy: -64.867
bonds (distance) P-C4' energy: -61.905
flat angles C4'-P-C4' energy: -76.873
flat angles P-C4'-P energy: -44.663
tors. eta vs tors. theta energy: -84.227
Dist. restrs. and SS energy: 3.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -973.209316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.209316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.594724 (E_RNA)
where:
Base-Base interactions energy: -674.813
where: short stacking energy: -260.820
Base-Backbone interact. energy: -1.294
local terms energy: -302.488276
where:
bonds (distance) C4'-P energy: -69.326
bonds (distance) P-C4' energy: -68.222
flat angles C4'-P-C4' energy: -60.534
flat angles P-C4'-P energy: -38.353
tors. eta vs tors. theta energy: -66.053
Dist. restrs. and SS energy: 5.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -1002.390113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.390113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.717427 (E_RNA)
where:
Base-Base interactions energy: -710.227
where: short stacking energy: -288.234
Base-Backbone interact. energy: -0.560
local terms energy: -294.930394
where:
bonds (distance) C4'-P energy: -59.181
bonds (distance) P-C4' energy: -58.129
flat angles C4'-P-C4' energy: -71.034
flat angles P-C4'-P energy: -37.333
tors. eta vs tors. theta energy: -69.254
Dist. restrs. and SS energy: 3.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -949.631077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.631077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.771804 (E_RNA)
where:
Base-Base interactions energy: -666.832
where: short stacking energy: -257.431
Base-Backbone interact. energy: -2.732
local terms energy: -283.207978
where:
bonds (distance) C4'-P energy: -55.239
bonds (distance) P-C4' energy: -56.533
flat angles C4'-P-C4' energy: -62.151
flat angles P-C4'-P energy: -46.382
tors. eta vs tors. theta energy: -62.903
Dist. restrs. and SS energy: 3.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -896.800849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.800849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.516735 (E_RNA)
where:
Base-Base interactions energy: -626.843
where: short stacking energy: -257.268
Base-Backbone interact. energy: -0.680
local terms energy: -281.994078
where:
bonds (distance) C4'-P energy: -70.103
bonds (distance) P-C4' energy: -63.556
flat angles C4'-P-C4' energy: -62.403
flat angles P-C4'-P energy: -38.296
tors. eta vs tors. theta energy: -47.636
Dist. restrs. and SS energy: 12.716 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -886.475973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.475973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.869248 (E_RNA)
where:
Base-Base interactions energy: -625.468
where: short stacking energy: -259.895
Base-Backbone interact. energy: -1.736
local terms energy: -268.665892
where:
bonds (distance) C4'-P energy: -53.633
bonds (distance) P-C4' energy: -52.037
flat angles C4'-P-C4' energy: -53.341
flat angles P-C4'-P energy: -39.780
tors. eta vs tors. theta energy: -69.875
Dist. restrs. and SS energy: 9.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -836.030679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.030679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.034696 (E_RNA)
where:
Base-Base interactions energy: -594.580
where: short stacking energy: -223.205
Base-Backbone interact. energy: -0.286
local terms energy: -250.169135
where:
bonds (distance) C4'-P energy: -51.476
bonds (distance) P-C4' energy: -62.134
flat angles C4'-P-C4' energy: -65.873
flat angles P-C4'-P energy: -31.372
tors. eta vs tors. theta energy: -39.314
Dist. restrs. and SS energy: 9.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -1217.077963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.077963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.874430 (E_RNA)
where:
Base-Base interactions energy: -850.500
where: short stacking energy: -337.786
Base-Backbone interact. energy: -4.477
local terms energy: -364.896632
where:
bonds (distance) C4'-P energy: -72.988
bonds (distance) P-C4' energy: -73.563
flat angles C4'-P-C4' energy: -76.397
flat angles P-C4'-P energy: -50.978
tors. eta vs tors. theta energy: -90.972
Dist. restrs. and SS energy: 2.796 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -1128.711273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.711273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.541429 (E_RNA)
where:
Base-Base interactions energy: -802.939
where: short stacking energy: -337.247
Base-Backbone interact. energy: -0.396
local terms energy: -328.206339
where:
bonds (distance) C4'-P energy: -64.564
bonds (distance) P-C4' energy: -65.262
flat angles C4'-P-C4' energy: -64.535
flat angles P-C4'-P energy: -45.911
tors. eta vs tors. theta energy: -87.934
Dist. restrs. and SS energy: 2.830 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -1129.210582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.210582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.265578 (E_RNA)
where:
Base-Base interactions energy: -805.777
where: short stacking energy: -309.572
Base-Backbone interact. energy: -1.678
local terms energy: -324.810965
where:
bonds (distance) C4'-P energy: -53.195
bonds (distance) P-C4' energy: -65.901
flat angles C4'-P-C4' energy: -70.339
flat angles P-C4'-P energy: -52.800
tors. eta vs tors. theta energy: -82.577
Dist. restrs. and SS energy: 3.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -1072.834541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.834541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.941534 (E_RNA)
where:
Base-Base interactions energy: -746.000
where: short stacking energy: -289.878
Base-Backbone interact. energy: -2.760
local terms energy: -328.181068
where:
bonds (distance) C4'-P energy: -57.208
bonds (distance) P-C4' energy: -69.997
flat angles C4'-P-C4' energy: -67.582
flat angles P-C4'-P energy: -53.025
tors. eta vs tors. theta energy: -80.369
Dist. restrs. and SS energy: 4.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -990.652994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.652994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.090058 (E_RNA)
where:
Base-Base interactions energy: -711.694
where: short stacking energy: -290.099
Base-Backbone interact. energy: -2.423
local terms energy: -279.973390
where:
bonds (distance) C4'-P energy: -59.517
bonds (distance) P-C4' energy: -63.806
flat angles C4'-P-C4' energy: -68.251
flat angles P-C4'-P energy: -27.517
tors. eta vs tors. theta energy: -60.882
Dist. restrs. and SS energy: 3.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -980.428674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.428674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.166001 (E_RNA)
where:
Base-Base interactions energy: -688.684
where: short stacking energy: -279.199
Base-Backbone interact. energy: -0.851
local terms energy: -294.631022
where:
bonds (distance) C4'-P energy: -56.864
bonds (distance) P-C4' energy: -63.731
flat angles C4'-P-C4' energy: -58.786
flat angles P-C4'-P energy: -44.885
tors. eta vs tors. theta energy: -70.365
Dist. restrs. and SS energy: 3.737 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -908.264095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.264095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.038801 (E_RNA)
where:
Base-Base interactions energy: -622.754
where: short stacking energy: -220.867
Base-Backbone interact. energy: 4.480
local terms energy: -292.764830
where:
bonds (distance) C4'-P energy: -64.589
bonds (distance) P-C4' energy: -71.212
flat angles C4'-P-C4' energy: -67.499
flat angles P-C4'-P energy: -28.006
tors. eta vs tors. theta energy: -61.459
Dist. restrs. and SS energy: 2.775 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -891.101081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.101081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.958814 (E_RNA)
where:
Base-Base interactions energy: -620.427
where: short stacking energy: -247.827
Base-Backbone interact. energy: -1.641
local terms energy: -277.890806
where:
bonds (distance) C4'-P energy: -48.912
bonds (distance) P-C4' energy: -66.330
flat angles C4'-P-C4' energy: -67.993
flat angles P-C4'-P energy: -44.274
tors. eta vs tors. theta energy: -50.382
Dist. restrs. and SS energy: 8.858 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -891.916173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.916173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.409704 (E_RNA)
where:
Base-Base interactions energy: -639.108
where: short stacking energy: -247.139
Base-Backbone interact. energy: 0.861
local terms energy: -258.162612
where:
bonds (distance) C4'-P energy: -44.010
bonds (distance) P-C4' energy: -69.231
flat angles C4'-P-C4' energy: -59.469
flat angles P-C4'-P energy: -19.914
tors. eta vs tors. theta energy: -65.539
Dist. restrs. and SS energy: 4.494 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -853.598694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.598694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.760014 (E_RNA)
where:
Base-Base interactions energy: -594.817
where: short stacking energy: -234.198
Base-Backbone interact. energy: 1.405
local terms energy: -265.348541
where:
bonds (distance) C4'-P energy: -53.754
bonds (distance) P-C4' energy: -50.622
flat angles C4'-P-C4' energy: -72.302
flat angles P-C4'-P energy: -33.760
tors. eta vs tors. theta energy: -54.911
Dist. restrs. and SS energy: 5.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -1234.556527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.556527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.441144 (E_RNA)
where:
Base-Base interactions energy: -885.753
where: short stacking energy: -342.958
Base-Backbone interact. energy: -1.387
local terms energy: -350.301546
where:
bonds (distance) C4'-P energy: -52.110
bonds (distance) P-C4' energy: -69.726
flat angles C4'-P-C4' energy: -77.186
flat angles P-C4'-P energy: -58.823
tors. eta vs tors. theta energy: -92.458
Dist. restrs. and SS energy: 2.885 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -1143.387627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.387627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.552419 (E_RNA)
where:
Base-Base interactions energy: -796.649
where: short stacking energy: -342.038
Base-Backbone interact. energy: -1.822
local terms energy: -348.081810
where:
bonds (distance) C4'-P energy: -61.567
bonds (distance) P-C4' energy: -70.785
flat angles C4'-P-C4' energy: -72.057
flat angles P-C4'-P energy: -53.927
tors. eta vs tors. theta energy: -89.746
Dist. restrs. and SS energy: 3.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -1152.203580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.203580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.509127 (E_RNA)
where:
Base-Base interactions energy: -822.641
where: short stacking energy: -331.285
Base-Backbone interact. energy: -0.962
local terms energy: -331.906633
where:
bonds (distance) C4'-P energy: -72.427
bonds (distance) P-C4' energy: -64.230
flat angles C4'-P-C4' energy: -62.666
flat angles P-C4'-P energy: -35.869
tors. eta vs tors. theta energy: -96.715
Dist. restrs. and SS energy: 3.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -1054.287498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.287498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.010368 (E_RNA)
where:
Base-Base interactions energy: -725.488
where: short stacking energy: -293.411
Base-Backbone interact. energy: -2.658
local terms energy: -329.864982
where:
bonds (distance) C4'-P energy: -63.608
bonds (distance) P-C4' energy: -59.952
flat angles C4'-P-C4' energy: -71.191
flat angles P-C4'-P energy: -56.407
tors. eta vs tors. theta energy: -78.707
Dist. restrs. and SS energy: 3.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -994.054598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.054598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.712138 (E_RNA)
where:
Base-Base interactions energy: -677.272
where: short stacking energy: -269.077
Base-Backbone interact. energy: -0.716
local terms energy: -319.724935
where:
bonds (distance) C4'-P energy: -69.679
bonds (distance) P-C4' energy: -72.659
flat angles C4'-P-C4' energy: -67.084
flat angles P-C4'-P energy: -42.891
tors. eta vs tors. theta energy: -67.411
Dist. restrs. and SS energy: 3.658 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -1016.846040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.846040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.776775 (E_RNA)
where:
Base-Base interactions energy: -721.233
where: short stacking energy: -290.568
Base-Backbone interact. energy: -2.703
local terms energy: -295.840432
where:
bonds (distance) C4'-P energy: -64.178
bonds (distance) P-C4' energy: -56.793
flat angles C4'-P-C4' energy: -56.815
flat angles P-C4'-P energy: -45.631
tors. eta vs tors. theta energy: -72.423
Dist. restrs. and SS energy: 2.931 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -935.801012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.801012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.917351 (E_RNA)
where:
Base-Base interactions energy: -638.324
where: short stacking energy: -245.506
Base-Backbone interact. energy: -4.779
local terms energy: -296.814355
where:
bonds (distance) C4'-P energy: -54.426
bonds (distance) P-C4' energy: -70.522
flat angles C4'-P-C4' energy: -63.549
flat angles P-C4'-P energy: -50.696
tors. eta vs tors. theta energy: -57.621
Dist. restrs. and SS energy: 4.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -909.213007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.213007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.140570 (E_RNA)
where:
Base-Base interactions energy: -645.637
where: short stacking energy: -245.436
Base-Backbone interact. energy: 0.699
local terms energy: -268.202109
where:
bonds (distance) C4'-P energy: -60.049
bonds (distance) P-C4' energy: -70.773
flat angles C4'-P-C4' energy: -48.376
flat angles P-C4'-P energy: -32.026
tors. eta vs tors. theta energy: -56.978
Dist. restrs. and SS energy: 3.928 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -880.981432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.981432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.627263 (E_RNA)
where:
Base-Base interactions energy: -642.501
where: short stacking energy: -250.918
Base-Backbone interact. energy: -1.922
local terms energy: -242.203841
where:
bonds (distance) C4'-P energy: -42.396
bonds (distance) P-C4' energy: -41.424
flat angles C4'-P-C4' energy: -72.336
flat angles P-C4'-P energy: -29.111
tors. eta vs tors. theta energy: -56.937
Dist. restrs. and SS energy: 5.646 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -849.460432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.460432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.457408 (E_RNA)
where:
Base-Base interactions energy: -596.275
where: short stacking energy: -245.969
Base-Backbone interact. energy: 3.410
local terms energy: -263.592239
where:
bonds (distance) C4'-P energy: -51.356
bonds (distance) P-C4' energy: -55.560
flat angles C4'-P-C4' energy: -59.107
flat angles P-C4'-P energy: -42.672
tors. eta vs tors. theta energy: -54.898
Dist. restrs. and SS energy: 6.997 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -1190.922809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.922809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.689464 (E_RNA)
where:
Base-Base interactions energy: -833.684
where: short stacking energy: -319.661
Base-Backbone interact. energy: -3.934
local terms energy: -356.071589
where:
bonds (distance) C4'-P energy: -67.442
bonds (distance) P-C4' energy: -76.686
flat angles C4'-P-C4' energy: -69.126
flat angles P-C4'-P energy: -53.578
tors. eta vs tors. theta energy: -89.239
Dist. restrs. and SS energy: 2.767 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -1148.053936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.053936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.121783 (E_RNA)
where:
Base-Base interactions energy: -826.032
where: short stacking energy: -328.659
Base-Backbone interact. energy: -0.294
local terms energy: -324.796052
where:
bonds (distance) C4'-P energy: -59.740
bonds (distance) P-C4' energy: -56.270
flat angles C4'-P-C4' energy: -71.621
flat angles P-C4'-P energy: -47.754
tors. eta vs tors. theta energy: -89.411
Dist. restrs. and SS energy: 3.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -1158.949695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.949695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.850469 (E_RNA)
where:
Base-Base interactions energy: -822.753
where: short stacking energy: -335.675
Base-Backbone interact. energy: -0.654
local terms energy: -338.443558
where:
bonds (distance) C4'-P energy: -70.262
bonds (distance) P-C4' energy: -66.371
flat angles C4'-P-C4' energy: -69.389
flat angles P-C4'-P energy: -38.206
tors. eta vs tors. theta energy: -94.216
Dist. restrs. and SS energy: 2.901 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -1039.591279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.591279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.419906 (E_RNA)
where:
Base-Base interactions energy: -732.953
where: short stacking energy: -276.171
Base-Backbone interact. energy: -3.824
local terms energy: -306.642241
where:
bonds (distance) C4'-P energy: -58.408
bonds (distance) P-C4' energy: -60.022
flat angles C4'-P-C4' energy: -61.829
flat angles P-C4'-P energy: -58.265
tors. eta vs tors. theta energy: -68.118
Dist. restrs. and SS energy: 3.829 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -1028.770324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.770324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.789293 (E_RNA)
where:
Base-Base interactions energy: -733.798
where: short stacking energy: -296.185
Base-Backbone interact. energy: -1.227
local terms energy: -296.763679
where:
bonds (distance) C4'-P energy: -56.246
bonds (distance) P-C4' energy: -54.986
flat angles C4'-P-C4' energy: -69.649
flat angles P-C4'-P energy: -43.920
tors. eta vs tors. theta energy: -71.962
Dist. restrs. and SS energy: 3.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -960.769571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.769571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.695688 (E_RNA)
where:
Base-Base interactions energy: -689.361
where: short stacking energy: -280.131
Base-Backbone interact. energy: 1.157
local terms energy: -275.491865
where:
bonds (distance) C4'-P energy: -56.308
bonds (distance) P-C4' energy: -57.302
flat angles C4'-P-C4' energy: -56.150
flat angles P-C4'-P energy: -43.314
tors. eta vs tors. theta energy: -62.419
Dist. restrs. and SS energy: 2.926 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -937.139124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.139124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.233461 (E_RNA)
where:
Base-Base interactions energy: -630.191
where: short stacking energy: -251.234
Base-Backbone interact. energy: -1.596
local terms energy: -310.446354
where:
bonds (distance) C4'-P energy: -58.618
bonds (distance) P-C4' energy: -62.532
flat angles C4'-P-C4' energy: -67.584
flat angles P-C4'-P energy: -49.303
tors. eta vs tors. theta energy: -72.409
Dist. restrs. and SS energy: 5.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -923.552224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.552224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.214979 (E_RNA)
where:
Base-Base interactions energy: -624.632
where: short stacking energy: -253.719
Base-Backbone interact. energy: -0.932
local terms energy: -302.650297
where:
bonds (distance) C4'-P energy: -62.937
bonds (distance) P-C4' energy: -53.177
flat angles C4'-P-C4' energy: -73.638
flat angles P-C4'-P energy: -39.070
tors. eta vs tors. theta energy: -73.828
Dist. restrs. and SS energy: 4.663 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -857.400778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.400778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.894100 (E_RNA)
where:
Base-Base interactions energy: -604.546
where: short stacking energy: -223.781
Base-Backbone interact. energy: -1.917
local terms energy: -261.430691
where:
bonds (distance) C4'-P energy: -57.065
bonds (distance) P-C4' energy: -51.923
flat angles C4'-P-C4' energy: -60.829
flat angles P-C4'-P energy: -30.230
tors. eta vs tors. theta energy: -61.384
Dist. restrs. and SS energy: 10.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -829.861259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.861259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.020013 (E_RNA)
where:
Base-Base interactions energy: -569.021
where: short stacking energy: -230.725
Base-Backbone interact. energy: -1.607
local terms energy: -268.392130
where:
bonds (distance) C4'-P energy: -57.539
bonds (distance) P-C4' energy: -51.860
flat angles C4'-P-C4' energy: -57.714
flat angles P-C4'-P energy: -46.982
tors. eta vs tors. theta energy: -54.297
Dist. restrs. and SS energy: 9.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -1201.378533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.378533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.709325 (E_RNA)
where:
Base-Base interactions energy: -847.923
where: short stacking energy: -341.307
Base-Backbone interact. energy: -1.826
local terms energy: -354.959581
where:
bonds (distance) C4'-P energy: -66.352
bonds (distance) P-C4' energy: -68.948
flat angles C4'-P-C4' energy: -80.453
flat angles P-C4'-P energy: -46.082
tors. eta vs tors. theta energy: -93.125
Dist. restrs. and SS energy: 3.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -1147.171078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.171078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.004500 (E_RNA)
where:
Base-Base interactions energy: -814.762
where: short stacking energy: -309.654
Base-Backbone interact. energy: -2.035
local terms energy: -334.207072
where:
bonds (distance) C4'-P energy: -67.028
bonds (distance) P-C4' energy: -64.777
flat angles C4'-P-C4' energy: -76.091
flat angles P-C4'-P energy: -45.259
tors. eta vs tors. theta energy: -81.052
Dist. restrs. and SS energy: 3.833 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -1148.568566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.568566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.058856 (E_RNA)
where:
Base-Base interactions energy: -805.518
where: short stacking energy: -319.474
Base-Backbone interact. energy: -1.949
local terms energy: -343.591493
where:
bonds (distance) C4'-P energy: -56.013
bonds (distance) P-C4' energy: -71.257
flat angles C4'-P-C4' energy: -75.315
flat angles P-C4'-P energy: -48.630
tors. eta vs tors. theta energy: -92.376
Dist. restrs. and SS energy: 2.490 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -1055.687437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.687437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.112413 (E_RNA)
where:
Base-Base interactions energy: -750.273
where: short stacking energy: -288.025
Base-Backbone interact. energy: -3.461
local terms energy: -305.378352
where:
bonds (distance) C4'-P energy: -62.773
bonds (distance) P-C4' energy: -71.081
flat angles C4'-P-C4' energy: -54.674
flat angles P-C4'-P energy: -45.385
tors. eta vs tors. theta energy: -71.466
Dist. restrs. and SS energy: 3.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -1042.845688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.845688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.590074 (E_RNA)
where:
Base-Base interactions energy: -743.067
where: short stacking energy: -278.748
Base-Backbone interact. energy: 5.977
local terms energy: -308.500125
where:
bonds (distance) C4'-P energy: -65.790
bonds (distance) P-C4' energy: -55.295
flat angles C4'-P-C4' energy: -69.380
flat angles P-C4'-P energy: -48.116
tors. eta vs tors. theta energy: -69.919
Dist. restrs. and SS energy: 2.744 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -975.686431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.686431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.328900 (E_RNA)
where:
Base-Base interactions energy: -670.509
where: short stacking energy: -272.215
Base-Backbone interact. energy: -1.416
local terms energy: -311.403673
where:
bonds (distance) C4'-P energy: -49.059
bonds (distance) P-C4' energy: -68.386
flat angles C4'-P-C4' energy: -72.642
flat angles P-C4'-P energy: -41.984
tors. eta vs tors. theta energy: -79.333
Dist. restrs. and SS energy: 7.642 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -939.294609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.294609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.770626 (E_RNA)
where:
Base-Base interactions energy: -660.503
where: short stacking energy: -253.081
Base-Backbone interact. energy: 0.224
local terms energy: -285.491989
where:
bonds (distance) C4'-P energy: -63.622
bonds (distance) P-C4' energy: -64.733
flat angles C4'-P-C4' energy: -56.557
flat angles P-C4'-P energy: -44.406
tors. eta vs tors. theta energy: -56.174
Dist. restrs. and SS energy: 6.476 (S_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: 353
Temperature: 1.250000
Total energy: -956.292798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.292798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.722014 (E_RNA)
where:
Base-Base interactions energy: -663.848
where: short stacking energy: -264.108
Base-Backbone interact. energy: -0.865
local terms energy: -296.009254
where:
bonds (distance) C4'-P energy: -56.523
bonds (distance) P-C4' energy: -64.430
flat angles C4'-P-C4' energy: -60.399
flat angles P-C4'-P energy: -40.333
tors. eta vs tors. theta energy: -74.325
Dist. restrs. and SS energy: 4.429 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -849.274324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.274324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.891548 (E_RNA)
where:
Base-Base interactions energy: -581.462
where: short stacking energy: -221.996
Base-Backbone interact. energy: -2.193
local terms energy: -274.235997
where:
bonds (distance) C4'-P energy: -53.943
bonds (distance) P-C4' energy: -53.722
flat angles C4'-P-C4' energy: -68.189
flat angles P-C4'-P energy: -50.596
tors. eta vs tors. theta energy: -47.786
Dist. restrs. and SS energy: 8.617 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -829.860094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.860094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.625756 (E_RNA)
where:
Base-Base interactions energy: -581.049
where: short stacking energy: -212.794
Base-Backbone interact. energy: 0.048
local terms energy: -256.624421
where:
bonds (distance) C4'-P energy: -57.311
bonds (distance) P-C4' energy: -47.577
flat angles C4'-P-C4' energy: -61.740
flat angles P-C4'-P energy: -40.356
tors. eta vs tors. theta energy: -49.641
Dist. restrs. and SS energy: 7.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -1223.820933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.820933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.665145 (E_RNA)
where:
Base-Base interactions energy: -854.736
where: short stacking energy: -363.142
Base-Backbone interact. energy: -2.391
local terms energy: -369.538402
where:
bonds (distance) C4'-P energy: -67.441
bonds (distance) P-C4' energy: -65.723
flat angles C4'-P-C4' energy: -81.084
flat angles P-C4'-P energy: -54.503
tors. eta vs tors. theta energy: -100.787
Dist. restrs. and SS energy: 2.844 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -1175.551475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.551475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.466495 (E_RNA)
where:
Base-Base interactions energy: -830.922
where: short stacking energy: -324.159
Base-Backbone interact. energy: -3.292
local terms energy: -344.252211
where:
bonds (distance) C4'-P energy: -57.627
bonds (distance) P-C4' energy: -67.534
flat angles C4'-P-C4' energy: -75.865
flat angles P-C4'-P energy: -49.709
tors. eta vs tors. theta energy: -93.517
Dist. restrs. and SS energy: 2.915 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -1123.009098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.009098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.767633 (E_RNA)
where:
Base-Base interactions energy: -794.342
where: short stacking energy: -316.319
Base-Backbone interact. energy: -0.886
local terms energy: -330.539766
where:
bonds (distance) C4'-P energy: -68.908
bonds (distance) P-C4' energy: -68.272
flat angles C4'-P-C4' energy: -66.791
flat angles P-C4'-P energy: -41.709
tors. eta vs tors. theta energy: -84.858
Dist. restrs. and SS energy: 2.759 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -1075.859406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.859406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.728966 (E_RNA)
where:
Base-Base interactions energy: -739.481
where: short stacking energy: -296.285
Base-Backbone interact. energy: -2.234
local terms energy: -337.014131
where:
bonds (distance) C4'-P energy: -65.131
bonds (distance) P-C4' energy: -70.421
flat angles C4'-P-C4' energy: -73.207
flat angles P-C4'-P energy: -46.519
tors. eta vs tors. theta energy: -81.736
Dist. restrs. and SS energy: 2.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -1003.400235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.400235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.853605 (E_RNA)
where:
Base-Base interactions energy: -704.694
where: short stacking energy: -305.064
Base-Backbone interact. energy: -3.353
local terms energy: -301.806868
where:
bonds (distance) C4'-P energy: -57.514
bonds (distance) P-C4' energy: -59.842
flat angles C4'-P-C4' energy: -58.621
flat angles P-C4'-P energy: -46.538
tors. eta vs tors. theta energy: -79.292
Dist. restrs. and SS energy: 6.453 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -1005.260815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.260815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.851622 (E_RNA)
where:
Base-Base interactions energy: -744.725
where: short stacking energy: -290.480
Base-Backbone interact. energy: 0.264
local terms energy: -264.390292
where:
bonds (distance) C4'-P energy: -50.875
bonds (distance) P-C4' energy: -54.924
flat angles C4'-P-C4' energy: -51.763
flat angles P-C4'-P energy: -38.277
tors. eta vs tors. theta energy: -68.550
Dist. restrs. and SS energy: 3.591 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -962.145649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.145649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.665234 (E_RNA)
where:
Base-Base interactions energy: -660.201
where: short stacking energy: -261.216
Base-Backbone interact. energy: -1.180
local terms energy: -304.284344
where:
bonds (distance) C4'-P energy: -61.384
bonds (distance) P-C4' energy: -51.502
flat angles C4'-P-C4' energy: -71.407
flat angles P-C4'-P energy: -50.422
tors. eta vs tors. theta energy: -69.569
Dist. restrs. and SS energy: 3.520 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -921.843439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.843439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.976872 (E_RNA)
where:
Base-Base interactions energy: -652.108
where: short stacking energy: -252.459
Base-Backbone interact. energy: -0.926
local terms energy: -271.943583
where:
bonds (distance) C4'-P energy: -53.971
bonds (distance) P-C4' energy: -51.847
flat angles C4'-P-C4' energy: -65.240
flat angles P-C4'-P energy: -40.997
tors. eta vs tors. theta energy: -59.889
Dist. restrs. and SS energy: 3.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -841.747842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.747842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.394122 (E_RNA)
where:
Base-Base interactions energy: -588.158
where: short stacking energy: -233.416
Base-Backbone interact. energy: 0.475
local terms energy: -262.710904
where:
bonds (distance) C4'-P energy: -54.758
bonds (distance) P-C4' energy: -47.228
flat angles C4'-P-C4' energy: -67.347
flat angles P-C4'-P energy: -40.636
tors. eta vs tors. theta energy: -52.741
Dist. restrs. and SS energy: 8.646 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -796.003584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.003584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.056199 (E_RNA)
where:
Base-Base interactions energy: -561.381
where: short stacking energy: -217.131
Base-Backbone interact. energy: -1.463
local terms energy: -239.212349
where:
bonds (distance) C4'-P energy: -52.113
bonds (distance) P-C4' energy: -59.799
flat angles C4'-P-C4' energy: -63.993
flat angles P-C4'-P energy: -21.929
tors. eta vs tors. theta energy: -41.379
Dist. restrs. and SS energy: 6.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -1196.111209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.111209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.876945 (E_RNA)
where:
Base-Base interactions energy: -840.511
where: short stacking energy: -336.903
Base-Backbone interact. energy: -1.581
local terms energy: -356.784843
where:
bonds (distance) C4'-P energy: -61.401
bonds (distance) P-C4' energy: -74.129
flat angles C4'-P-C4' energy: -71.786
flat angles P-C4'-P energy: -48.943
tors. eta vs tors. theta energy: -100.527
Dist. restrs. and SS energy: 2.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -1154.207755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.207755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.246563 (E_RNA)
where:
Base-Base interactions energy: -813.668
where: short stacking energy: -323.176
Base-Backbone interact. energy: -1.997
local terms energy: -341.581376
where:
bonds (distance) C4'-P energy: -61.056
bonds (distance) P-C4' energy: -58.703
flat angles C4'-P-C4' energy: -70.184
flat angles P-C4'-P energy: -59.213
tors. eta vs tors. theta energy: -92.427
Dist. restrs. and SS energy: 3.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -1157.163797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.163797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.178860 (E_RNA)
where:
Base-Base interactions energy: -806.100
where: short stacking energy: -333.811
Base-Backbone interact. energy: -0.278
local terms energy: -353.800622
where:
bonds (distance) C4'-P energy: -65.578
bonds (distance) P-C4' energy: -81.072
flat angles C4'-P-C4' energy: -78.388
flat angles P-C4'-P energy: -44.852
tors. eta vs tors. theta energy: -83.912
Dist. restrs. and SS energy: 3.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -1074.676841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.676841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.901762 (E_RNA)
where:
Base-Base interactions energy: -774.104
where: short stacking energy: -295.388
Base-Backbone interact. energy: -1.726
local terms energy: -304.072280
where:
bonds (distance) C4'-P energy: -51.179
bonds (distance) P-C4' energy: -69.591
flat angles C4'-P-C4' energy: -61.127
flat angles P-C4'-P energy: -39.417
tors. eta vs tors. theta energy: -82.758
Dist. restrs. and SS energy: 5.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -1003.856399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.856399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.047982 (E_RNA)
where:
Base-Base interactions energy: -693.481
where: short stacking energy: -299.726
Base-Backbone interact. energy: -1.027
local terms energy: -313.540215
where:
bonds (distance) C4'-P energy: -61.137
bonds (distance) P-C4' energy: -66.990
flat angles C4'-P-C4' energy: -71.784
flat angles P-C4'-P energy: -46.430
tors. eta vs tors. theta energy: -67.200
Dist. restrs. and SS energy: 4.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -997.600898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.600898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.524099 (E_RNA)
where:
Base-Base interactions energy: -692.291
where: short stacking energy: -286.571
Base-Backbone interact. energy: -2.068
local terms energy: -307.165305
where:
bonds (distance) C4'-P energy: -60.549
bonds (distance) P-C4' energy: -66.814
flat angles C4'-P-C4' energy: -59.611
flat angles P-C4'-P energy: -48.118
tors. eta vs tors. theta energy: -72.074
Dist. restrs. and SS energy: 3.923 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -993.091877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.091877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.132457 (E_RNA)
where:
Base-Base interactions energy: -696.894
where: short stacking energy: -263.701
Base-Backbone interact. energy: -2.304
local terms energy: -296.934219
where:
bonds (distance) C4'-P energy: -65.106
bonds (distance) P-C4' energy: -57.686
flat angles C4'-P-C4' energy: -47.173
flat angles P-C4'-P energy: -49.673
tors. eta vs tors. theta energy: -77.296
Dist. restrs. and SS energy: 3.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -926.843935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.843935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.066353 (E_RNA)
where:
Base-Base interactions energy: -653.850
where: short stacking energy: -249.399
Base-Backbone interact. energy: -0.675
local terms energy: -276.541991
where:
bonds (distance) C4'-P energy: -52.291
bonds (distance) P-C4' energy: -64.411
flat angles C4'-P-C4' energy: -65.723
flat angles P-C4'-P energy: -35.726
tors. eta vs tors. theta energy: -58.390
Dist. restrs. and SS energy: 4.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -878.105786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.105786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.300761 (E_RNA)
where:
Base-Base interactions energy: -625.057
where: short stacking energy: -229.215
Base-Backbone interact. energy: -0.104
local terms energy: -258.139511
where:
bonds (distance) C4'-P energy: -63.312
bonds (distance) P-C4' energy: -48.754
flat angles C4'-P-C4' energy: -46.601
flat angles P-C4'-P energy: -45.167
tors. eta vs tors. theta energy: -54.305
Dist. restrs. and SS energy: 5.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -801.706205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.706205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.911408 (E_RNA)
where:
Base-Base interactions energy: -557.425
where: short stacking energy: -219.264
Base-Backbone interact. energy: 1.239
local terms energy: -250.725390
where:
bonds (distance) C4'-P energy: -42.133
bonds (distance) P-C4' energy: -49.338
flat angles C4'-P-C4' energy: -63.357
flat angles P-C4'-P energy: -47.961
tors. eta vs tors. theta energy: -47.937
Dist. restrs. and SS energy: 5.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -1209.287029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.287029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.297949 (E_RNA)
where:
Base-Base interactions energy: -851.733
where: short stacking energy: -338.689
Base-Backbone interact. energy: -2.532
local terms energy: -358.032683
where:
bonds (distance) C4'-P energy: -71.584
bonds (distance) P-C4' energy: -63.164
flat angles C4'-P-C4' energy: -77.991
flat angles P-C4'-P energy: -49.047
tors. eta vs tors. theta energy: -96.247
Dist. restrs. and SS energy: 3.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -1150.502869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.502869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.862058 (E_RNA)
where:
Base-Base interactions energy: -791.484
where: short stacking energy: -310.657
Base-Backbone interact. energy: -2.666
local terms energy: -359.711950
where:
bonds (distance) C4'-P energy: -66.355
bonds (distance) P-C4' energy: -68.804
flat angles C4'-P-C4' energy: -83.855
flat angles P-C4'-P energy: -49.147
tors. eta vs tors. theta energy: -91.550
Dist. restrs. and SS energy: 3.359 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -1134.541882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.541882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.631814 (E_RNA)
where:
Base-Base interactions energy: -795.159
where: short stacking energy: -329.283
Base-Backbone interact. energy: -0.467
local terms energy: -346.006408
where:
bonds (distance) C4'-P energy: -62.540
bonds (distance) P-C4' energy: -61.958
flat angles C4'-P-C4' energy: -68.006
flat angles P-C4'-P energy: -59.825
tors. eta vs tors. theta energy: -93.677
Dist. restrs. and SS energy: 7.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -1083.001473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.001473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.107442 (E_RNA)
where:
Base-Base interactions energy: -758.302
where: short stacking energy: -304.377
Base-Backbone interact. energy: -1.619
local terms energy: -327.186489
where:
bonds (distance) C4'-P energy: -51.088
bonds (distance) P-C4' energy: -70.931
flat angles C4'-P-C4' energy: -76.441
flat angles P-C4'-P energy: -54.353
tors. eta vs tors. theta energy: -74.373
Dist. restrs. and SS energy: 4.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -1021.674947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.674947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.035722 (E_RNA)
where:
Base-Base interactions energy: -706.705
where: short stacking energy: -284.815
Base-Backbone interact. energy: -2.973
local terms energy: -315.358436
where:
bonds (distance) C4'-P energy: -59.438
bonds (distance) P-C4' energy: -62.181
flat angles C4'-P-C4' energy: -73.086
flat angles P-C4'-P energy: -48.368
tors. eta vs tors. theta energy: -72.285
Dist. restrs. and SS energy: 3.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -1008.076980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.076980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.571362 (E_RNA)
where:
Base-Base interactions energy: -709.140
where: short stacking energy: -276.767
Base-Backbone interact. energy: -0.998
local terms energy: -302.433359
where:
bonds (distance) C4'-P energy: -65.403
bonds (distance) P-C4' energy: -54.459
flat angles C4'-P-C4' energy: -60.711
flat angles P-C4'-P energy: -41.461
tors. eta vs tors. theta energy: -80.399
Dist. restrs. and SS energy: 4.494 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -924.631693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.631693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.333207 (E_RNA)
where:
Base-Base interactions energy: -654.166
where: short stacking energy: -264.988
Base-Backbone interact. energy: 2.652
local terms energy: -277.819155
where:
bonds (distance) C4'-P energy: -61.833
bonds (distance) P-C4' energy: -56.495
flat angles C4'-P-C4' energy: -59.491
flat angles P-C4'-P energy: -32.766
tors. eta vs tors. theta energy: -67.235
Dist. restrs. and SS energy: 4.702 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -920.861959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.861959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.559356 (E_RNA)
where:
Base-Base interactions energy: -629.408
where: short stacking energy: -259.865
Base-Backbone interact. energy: -1.182
local terms energy: -293.969515
where:
bonds (distance) C4'-P energy: -62.776
bonds (distance) P-C4' energy: -45.842
flat angles C4'-P-C4' energy: -67.695
flat angles P-C4'-P energy: -54.758
tors. eta vs tors. theta energy: -62.899
Dist. restrs. and SS energy: 3.697 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -854.494794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.494794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.432873 (E_RNA)
where:
Base-Base interactions energy: -601.872
where: short stacking energy: -234.574
Base-Backbone interact. energy: -2.019
local terms energy: -259.541466
where:
bonds (distance) C4'-P energy: -45.484
bonds (distance) P-C4' energy: -54.146
flat angles C4'-P-C4' energy: -60.324
flat angles P-C4'-P energy: -46.619
tors. eta vs tors. theta energy: -52.970
Dist. restrs. and SS energy: 8.938 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -848.431025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.431025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.941506 (E_RNA)
where:
Base-Base interactions energy: -597.183
where: short stacking energy: -221.110
Base-Backbone interact. energy: -0.036
local terms energy: -255.722872
where:
bonds (distance) C4'-P energy: -53.572
bonds (distance) P-C4' energy: -52.865
flat angles C4'-P-C4' energy: -58.699
flat angles P-C4'-P energy: -41.123
tors. eta vs tors. theta energy: -49.464
Dist. restrs. and SS energy: 4.510 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -1214.946010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.946010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.930513 (E_RNA)
where:
Base-Base interactions energy: -867.007
where: short stacking energy: -337.219
Base-Backbone interact. energy: -3.526
local terms energy: -347.397268
where:
bonds (distance) C4'-P energy: -66.805
bonds (distance) P-C4' energy: -63.305
flat angles C4'-P-C4' energy: -77.097
flat angles P-C4'-P energy: -48.011
tors. eta vs tors. theta energy: -92.178
Dist. restrs. and SS energy: 2.985 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -1172.649466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.649466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.786976 (E_RNA)
where:
Base-Base interactions energy: -821.919
where: short stacking energy: -335.817
Base-Backbone interact. energy: 2.257
local terms energy: -356.125008
where:
bonds (distance) C4'-P energy: -62.682
bonds (distance) P-C4' energy: -73.656
flat angles C4'-P-C4' energy: -75.173
flat angles P-C4'-P energy: -51.013
tors. eta vs tors. theta energy: -93.600
Dist. restrs. and SS energy: 3.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -1132.403734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.403734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.128156 (E_RNA)
where:
Base-Base interactions energy: -800.716
where: short stacking energy: -331.867
Base-Backbone interact. energy: -1.535
local terms energy: -335.876854
where:
bonds (distance) C4'-P energy: -61.468
bonds (distance) P-C4' energy: -71.363
flat angles C4'-P-C4' energy: -70.653
flat angles P-C4'-P energy: -40.356
tors. eta vs tors. theta energy: -92.037
Dist. restrs. and SS energy: 5.724 (S_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: 357
Temperature: 1.050000
Total energy: -1107.491435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.491435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.679151 (E_RNA)
where:
Base-Base interactions energy: -758.951
where: short stacking energy: -322.701
Base-Backbone interact. energy: -0.634
local terms energy: -354.094045
where:
bonds (distance) C4'-P energy: -69.966
bonds (distance) P-C4' energy: -65.606
flat angles C4'-P-C4' energy: -72.416
flat angles P-C4'-P energy: -50.365
tors. eta vs tors. theta energy: -95.741
Dist. restrs. and SS energy: 6.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -993.092479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.092479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.278878 (E_RNA)
where:
Base-Base interactions energy: -682.927
where: short stacking energy: -267.558
Base-Backbone interact. energy: -1.168
local terms energy: -312.183762
where:
bonds (distance) C4'-P energy: -59.696
bonds (distance) P-C4' energy: -67.917
flat angles C4'-P-C4' energy: -76.646
flat angles P-C4'-P energy: -44.196
tors. eta vs tors. theta energy: -63.729
Dist. restrs. and SS energy: 3.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -967.019596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.019596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.229032 (E_RNA)
where:
Base-Base interactions energy: -688.824
where: short stacking energy: -288.293
Base-Backbone interact. energy: 3.911
local terms energy: -285.316813
where:
bonds (distance) C4'-P energy: -41.166
bonds (distance) P-C4' energy: -49.762
flat angles C4'-P-C4' energy: -71.138
flat angles P-C4'-P energy: -43.277
tors. eta vs tors. theta energy: -79.974
Dist. restrs. and SS energy: 3.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -966.460349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.460349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.621674 (E_RNA)
where:
Base-Base interactions energy: -673.597
where: short stacking energy: -270.946
Base-Backbone interact. energy: -0.811
local terms energy: -299.214373
where:
bonds (distance) C4'-P energy: -66.638
bonds (distance) P-C4' energy: -53.650
flat angles C4'-P-C4' energy: -70.650
flat angles P-C4'-P energy: -48.320
tors. eta vs tors. theta energy: -59.956
Dist. restrs. and SS energy: 7.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -903.087430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.087430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.028806 (E_RNA)
where:
Base-Base interactions energy: -627.325
where: short stacking energy: -241.863
Base-Backbone interact. energy: 2.986
local terms energy: -283.690649
where:
bonds (distance) C4'-P energy: -55.777
bonds (distance) P-C4' energy: -61.070
flat angles C4'-P-C4' energy: -61.245
flat angles P-C4'-P energy: -43.728
tors. eta vs tors. theta energy: -61.871
Dist. restrs. and SS energy: 4.941 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -878.616899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.616899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.211806 (E_RNA)
where:
Base-Base interactions energy: -626.253
where: short stacking energy: -237.219
Base-Backbone interact. energy: -0.841
local terms energy: -255.117309
where:
bonds (distance) C4'-P energy: -55.295
bonds (distance) P-C4' energy: -56.641
flat angles C4'-P-C4' energy: -57.189
flat angles P-C4'-P energy: -38.815
tors. eta vs tors. theta energy: -47.177
Dist. restrs. and SS energy: 3.595 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -814.294450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.294450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.278131 (E_RNA)
where:
Base-Base interactions energy: -560.172
where: short stacking energy: -208.474
Base-Backbone interact. energy: -1.808
local terms energy: -259.298292
where:
bonds (distance) C4'-P energy: -62.295
bonds (distance) P-C4' energy: -53.370
flat angles C4'-P-C4' energy: -58.389
flat angles P-C4'-P energy: -40.735
tors. eta vs tors. theta energy: -44.510
Dist. restrs. and SS energy: 6.984 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -1216.521067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.521067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.799785 (E_RNA)
where:
Base-Base interactions energy: -846.147
where: short stacking energy: -338.309
Base-Backbone interact. energy: -1.825
local terms energy: -371.827333
where:
bonds (distance) C4'-P energy: -70.337
bonds (distance) P-C4' energy: -72.163
flat angles C4'-P-C4' energy: -74.692
flat angles P-C4'-P energy: -61.591
tors. eta vs tors. theta energy: -93.044
Dist. restrs. and SS energy: 3.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -1164.627406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.627406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.573045 (E_RNA)
where:
Base-Base interactions energy: -827.504
where: short stacking energy: -333.714
Base-Backbone interact. energy: -2.283
local terms energy: -337.785489
where:
bonds (distance) C4'-P energy: -66.229
bonds (distance) P-C4' energy: -65.933
flat angles C4'-P-C4' energy: -73.744
flat angles P-C4'-P energy: -43.169
tors. eta vs tors. theta energy: -88.711
Dist. restrs. and SS energy: 2.946 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -1107.643654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.643654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.045789 (E_RNA)
where:
Base-Base interactions energy: -768.630
where: short stacking energy: -316.360
Base-Backbone interact. energy: -2.180
local terms energy: -340.236165
where:
bonds (distance) C4'-P energy: -65.237
bonds (distance) P-C4' energy: -68.685
flat angles C4'-P-C4' energy: -69.480
flat angles P-C4'-P energy: -48.233
tors. eta vs tors. theta energy: -88.601
Dist. restrs. and SS energy: 3.402 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -1105.846783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.846783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.716538 (E_RNA)
where:
Base-Base interactions energy: -782.075
where: short stacking energy: -312.090
Base-Backbone interact. energy: -0.298
local terms energy: -326.343788
where:
bonds (distance) C4'-P energy: -62.623
bonds (distance) P-C4' energy: -61.576
flat angles C4'-P-C4' energy: -65.885
flat angles P-C4'-P energy: -51.905
tors. eta vs tors. theta energy: -84.355
Dist. restrs. and SS energy: 2.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -1009.447900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.447900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.609217 (E_RNA)
where:
Base-Base interactions energy: -705.912
where: short stacking energy: -290.547
Base-Backbone interact. energy: 1.614
local terms energy: -309.310333
where:
bonds (distance) C4'-P energy: -60.265
bonds (distance) P-C4' energy: -70.059
flat angles C4'-P-C4' energy: -66.992
flat angles P-C4'-P energy: -43.964
tors. eta vs tors. theta energy: -68.031
Dist. restrs. and SS energy: 4.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -978.024695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.024695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.442489 (E_RNA)
where:
Base-Base interactions energy: -658.537
where: short stacking energy: -273.047
Base-Backbone interact. energy: -3.082
local terms energy: -326.823835
where:
bonds (distance) C4'-P energy: -61.788
bonds (distance) P-C4' energy: -78.420
flat angles C4'-P-C4' energy: -66.948
flat angles P-C4'-P energy: -48.091
tors. eta vs tors. theta energy: -71.578
Dist. restrs. and SS energy: 10.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -967.963069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.963069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.723051 (E_RNA)
where:
Base-Base interactions energy: -698.741
where: short stacking energy: -267.503
Base-Backbone interact. energy: -1.380
local terms energy: -274.602027
where:
bonds (distance) C4'-P energy: -57.612
bonds (distance) P-C4' energy: -46.255
flat angles C4'-P-C4' energy: -64.756
flat angles P-C4'-P energy: -33.380
tors. eta vs tors. theta energy: -72.599
Dist. restrs. and SS energy: 6.760 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -923.365035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.365035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.438227 (E_RNA)
where:
Base-Base interactions energy: -657.139
where: short stacking energy: -252.618
Base-Backbone interact. energy: -2.859
local terms energy: -269.440049
where:
bonds (distance) C4'-P energy: -55.933
bonds (distance) P-C4' energy: -58.637
flat angles C4'-P-C4' energy: -62.800
flat angles P-C4'-P energy: -27.099
tors. eta vs tors. theta energy: -64.971
Dist. restrs. and SS energy: 6.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -867.970351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.970351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.473373 (E_RNA)
where:
Base-Base interactions energy: -600.561
where: short stacking energy: -244.420
Base-Backbone interact. energy: -1.675
local terms energy: -270.236979
where:
bonds (distance) C4'-P energy: -59.176
bonds (distance) P-C4' energy: -59.631
flat angles C4'-P-C4' energy: -53.831
flat angles P-C4'-P energy: -41.448
tors. eta vs tors. theta energy: -56.151
Dist. restrs. and SS energy: 4.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -836.395627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.395627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.606331 (E_RNA)
where:
Base-Base interactions energy: -581.734
where: short stacking energy: -216.433
Base-Backbone interact. energy: -2.030
local terms energy: -255.841892
where:
bonds (distance) C4'-P energy: -56.247
bonds (distance) P-C4' energy: -56.469
flat angles C4'-P-C4' energy: -57.232
flat angles P-C4'-P energy: -39.567
tors. eta vs tors. theta energy: -46.327
Dist. restrs. and SS energy: 3.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -1215.014792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.014792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.286812 (E_RNA)
where:
Base-Base interactions energy: -847.872
where: short stacking energy: -338.589
Base-Backbone interact. energy: -3.069
local terms energy: -367.345405
where:
bonds (distance) C4'-P energy: -69.298
bonds (distance) P-C4' energy: -78.794
flat angles C4'-P-C4' energy: -77.817
flat angles P-C4'-P energy: -45.891
tors. eta vs tors. theta energy: -95.546
Dist. restrs. and SS energy: 3.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -1184.161863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.161863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.526325 (E_RNA)
where:
Base-Base interactions energy: -843.972
where: short stacking energy: -330.783
Base-Backbone interact. energy: -3.750
local terms energy: -339.804566
where:
bonds (distance) C4'-P energy: -60.511
bonds (distance) P-C4' energy: -64.806
flat angles C4'-P-C4' energy: -76.792
flat angles P-C4'-P energy: -47.071
tors. eta vs tors. theta energy: -90.625
Dist. restrs. and SS energy: 3.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -1118.215274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.215274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.552504 (E_RNA)
where:
Base-Base interactions energy: -770.161
where: short stacking energy: -327.173
Base-Backbone interact. energy: -3.055
local terms energy: -350.336738
where:
bonds (distance) C4'-P energy: -67.007
bonds (distance) P-C4' energy: -61.762
flat angles C4'-P-C4' energy: -78.290
flat angles P-C4'-P energy: -52.474
tors. eta vs tors. theta energy: -90.804
Dist. restrs. and SS energy: 5.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -1085.056449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.056449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.228875 (E_RNA)
where:
Base-Base interactions energy: -772.653
where: short stacking energy: -298.961
Base-Backbone interact. energy: -0.799
local terms energy: -314.776856
where:
bonds (distance) C4'-P energy: -51.809
bonds (distance) P-C4' energy: -64.318
flat angles C4'-P-C4' energy: -72.230
flat angles P-C4'-P energy: -46.800
tors. eta vs tors. theta energy: -79.621
Dist. restrs. and SS energy: 3.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -1020.883953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.883953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.878865 (E_RNA)
where:
Base-Base interactions energy: -732.903
where: short stacking energy: -290.569
Base-Backbone interact. energy: -2.610
local terms energy: -288.365706
where:
bonds (distance) C4'-P energy: -49.158
bonds (distance) P-C4' energy: -55.957
flat angles C4'-P-C4' energy: -67.739
flat angles P-C4'-P energy: -46.738
tors. eta vs tors. theta energy: -68.774
Dist. restrs. and SS energy: 2.995 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -994.703164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.703164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.706886 (E_RNA)
where:
Base-Base interactions energy: -691.479
where: short stacking energy: -281.695
Base-Backbone interact. energy: -3.054
local terms energy: -309.174294
where:
bonds (distance) C4'-P energy: -57.268
bonds (distance) P-C4' energy: -68.447
flat angles C4'-P-C4' energy: -68.669
flat angles P-C4'-P energy: -37.136
tors. eta vs tors. theta energy: -77.654
Dist. restrs. and SS energy: 9.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -926.780167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.780167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.508427 (E_RNA)
where:
Base-Base interactions energy: -648.200
where: short stacking energy: -266.832
Base-Backbone interact. energy: -0.857
local terms energy: -286.451713
where:
bonds (distance) C4'-P energy: -58.799
bonds (distance) P-C4' energy: -54.234
flat angles C4'-P-C4' energy: -65.847
flat angles P-C4'-P energy: -45.348
tors. eta vs tors. theta energy: -62.223
Dist. restrs. and SS energy: 8.728 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -880.328958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.328958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.614883 (E_RNA)
where:
Base-Base interactions energy: -600.493
where: short stacking energy: -235.882
Base-Backbone interact. energy: -0.536
local terms energy: -288.585916
where:
bonds (distance) C4'-P energy: -55.552
bonds (distance) P-C4' energy: -70.710
flat angles C4'-P-C4' energy: -58.793
flat angles P-C4'-P energy: -39.593
tors. eta vs tors. theta energy: -63.938
Dist. restrs. and SS energy: 9.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -854.793910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.793910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.100343 (E_RNA)
where:
Base-Base interactions energy: -613.201
where: short stacking energy: -232.712
Base-Backbone interact. energy: -2.524
local terms energy: -245.375360
where:
bonds (distance) C4'-P energy: -51.539
bonds (distance) P-C4' energy: -45.999
flat angles C4'-P-C4' energy: -65.338
flat angles P-C4'-P energy: -25.400
tors. eta vs tors. theta energy: -57.099
Dist. restrs. and SS energy: 6.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -881.849905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.849905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.337806 (E_RNA)
where:
Base-Base interactions energy: -616.312
where: short stacking energy: -243.867
Base-Backbone interact. energy: 3.180
local terms energy: -274.205143
where:
bonds (distance) C4'-P energy: -62.282
bonds (distance) P-C4' energy: -54.560
flat angles C4'-P-C4' energy: -65.147
flat angles P-C4'-P energy: -24.909
tors. eta vs tors. theta energy: -67.308
Dist. restrs. and SS energy: 5.488 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -1189.716609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.716609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.766049 (E_RNA)
where:
Base-Base interactions energy: -847.124
where: short stacking energy: -344.260
Base-Backbone interact. energy: -2.883
local terms energy: -342.758920
where:
bonds (distance) C4'-P energy: -65.679
bonds (distance) P-C4' energy: -63.736
flat angles C4'-P-C4' energy: -72.676
flat angles P-C4'-P energy: -50.981
tors. eta vs tors. theta energy: -89.686
Dist. restrs. and SS energy: 3.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -1190.572993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.572993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.493523 (E_RNA)
where:
Base-Base interactions energy: -831.237
where: short stacking energy: -336.774
Base-Backbone interact. energy: -0.875
local terms energy: -361.381390
where:
bonds (distance) C4'-P energy: -56.822
bonds (distance) P-C4' energy: -74.758
flat angles C4'-P-C4' energy: -81.764
flat angles P-C4'-P energy: -47.986
tors. eta vs tors. theta energy: -100.051
Dist. restrs. and SS energy: 2.921 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -1111.991696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.991696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.394799 (E_RNA)
where:
Base-Base interactions energy: -786.756
where: short stacking energy: -318.697
Base-Backbone interact. energy: -0.754
local terms energy: -327.884933
where:
bonds (distance) C4'-P energy: -63.914
bonds (distance) P-C4' energy: -59.276
flat angles C4'-P-C4' energy: -70.154
flat angles P-C4'-P energy: -47.721
tors. eta vs tors. theta energy: -86.821
Dist. restrs. and SS energy: 3.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -1088.187064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.187064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.006194 (E_RNA)
where:
Base-Base interactions energy: -758.540
where: short stacking energy: -306.109
Base-Backbone interact. energy: -2.389
local terms energy: -330.077229
where:
bonds (distance) C4'-P energy: -64.150
bonds (distance) P-C4' energy: -61.342
flat angles C4'-P-C4' energy: -72.914
flat angles P-C4'-P energy: -44.768
tors. eta vs tors. theta energy: -86.903
Dist. restrs. and SS energy: 2.819 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -996.282050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.282050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.290684 (E_RNA)
where:
Base-Base interactions energy: -686.627
where: short stacking energy: -277.674
Base-Backbone interact. energy: -0.098
local terms energy: -317.565363
where:
bonds (distance) C4'-P energy: -70.573
bonds (distance) P-C4' energy: -48.440
flat angles C4'-P-C4' energy: -75.189
flat angles P-C4'-P energy: -55.043
tors. eta vs tors. theta energy: -68.321
Dist. restrs. and SS energy: 8.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -1006.763993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.763993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.937927 (E_RNA)
where:
Base-Base interactions energy: -727.366
where: short stacking energy: -281.574
Base-Backbone interact. energy: -2.394
local terms energy: -280.178461
where:
bonds (distance) C4'-P energy: -53.942
bonds (distance) P-C4' energy: -65.090
flat angles C4'-P-C4' energy: -54.021
flat angles P-C4'-P energy: -35.809
tors. eta vs tors. theta energy: -71.317
Dist. restrs. and SS energy: 3.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -943.005364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.005364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.576283 (E_RNA)
where:
Base-Base interactions energy: -645.136
where: short stacking energy: -280.459
Base-Backbone interact. energy: 0.378
local terms energy: -304.818790
where:
bonds (distance) C4'-P energy: -67.327
bonds (distance) P-C4' energy: -57.989
flat angles C4'-P-C4' energy: -69.465
flat angles P-C4'-P energy: -44.663
tors. eta vs tors. theta energy: -65.374
Dist. restrs. and SS energy: 6.571 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -909.507327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.507327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.768450 (E_RNA)
where:
Base-Base interactions energy: -638.371
where: short stacking energy: -241.951
Base-Backbone interact. energy: -2.329
local terms energy: -273.067718
where:
bonds (distance) C4'-P energy: -52.197
bonds (distance) P-C4' energy: -58.862
flat angles C4'-P-C4' energy: -70.203
flat angles P-C4'-P energy: -32.716
tors. eta vs tors. theta energy: -59.090
Dist. restrs. and SS energy: 4.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -863.309115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.309115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.541745 (E_RNA)
where:
Base-Base interactions energy: -628.066
where: short stacking energy: -237.436
Base-Backbone interact. energy: 0.286
local terms energy: -241.762122
where:
bonds (distance) C4'-P energy: -52.411
bonds (distance) P-C4' energy: -36.081
flat angles C4'-P-C4' energy: -54.706
flat angles P-C4'-P energy: -45.421
tors. eta vs tors. theta energy: -53.143
Dist. restrs. and SS energy: 6.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -810.344138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.344138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.251570 (E_RNA)
where:
Base-Base interactions energy: -565.233
where: short stacking energy: -218.620
Base-Backbone interact. energy: -2.941
local terms energy: -249.077297
where:
bonds (distance) C4'-P energy: -43.739
bonds (distance) P-C4' energy: -57.636
flat angles C4'-P-C4' energy: -59.430
flat angles P-C4'-P energy: -33.247
tors. eta vs tors. theta energy: -55.025
Dist. restrs. and SS energy: 6.907 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -1212.603561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.603561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.066181 (E_RNA)
where:
Base-Base interactions energy: -861.540
where: short stacking energy: -348.512
Base-Backbone interact. energy: 0.024
local terms energy: -353.550668
where:
bonds (distance) C4'-P energy: -73.333
bonds (distance) P-C4' energy: -57.082
flat angles C4'-P-C4' energy: -71.597
flat angles P-C4'-P energy: -55.937
tors. eta vs tors. theta energy: -95.602
Dist. restrs. and SS energy: 2.463 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -1184.079874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.079874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.570424 (E_RNA)
where:
Base-Base interactions energy: -829.099
where: short stacking energy: -338.969
Base-Backbone interact. energy: -0.555
local terms energy: -357.915689
where:
bonds (distance) C4'-P energy: -51.662
bonds (distance) P-C4' energy: -74.572
flat angles C4'-P-C4' energy: -84.301
flat angles P-C4'-P energy: -51.530
tors. eta vs tors. theta energy: -95.851
Dist. restrs. and SS energy: 3.491 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -1145.473372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.473372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.872782 (E_RNA)
where:
Base-Base interactions energy: -808.115
where: short stacking energy: -323.016
Base-Backbone interact. energy: -1.595
local terms energy: -339.163562
where:
bonds (distance) C4'-P energy: -65.616
bonds (distance) P-C4' energy: -72.567
flat angles C4'-P-C4' energy: -67.291
flat angles P-C4'-P energy: -44.937
tors. eta vs tors. theta energy: -88.753
Dist. restrs. and SS energy: 3.399 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -1087.293506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.293506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.323023 (E_RNA)
where:
Base-Base interactions energy: -754.533
where: short stacking energy: -300.790
Base-Backbone interact. energy: -0.998
local terms energy: -334.792023
where:
bonds (distance) C4'-P energy: -62.554
bonds (distance) P-C4' energy: -64.961
flat angles C4'-P-C4' energy: -61.275
flat angles P-C4'-P energy: -54.003
tors. eta vs tors. theta energy: -91.999
Dist. restrs. and SS energy: 3.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -1015.518154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.518154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.829313 (E_RNA)
where:
Base-Base interactions energy: -708.022
where: short stacking energy: -297.275
Base-Backbone interact. energy: -1.079
local terms energy: -312.728232
where:
bonds (distance) C4'-P energy: -54.569
bonds (distance) P-C4' energy: -66.223
flat angles C4'-P-C4' energy: -68.433
flat angles P-C4'-P energy: -44.461
tors. eta vs tors. theta energy: -79.042
Dist. restrs. and SS energy: 6.311 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -1046.076057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.076057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.531872 (E_RNA)
where:
Base-Base interactions energy: -721.502
where: short stacking energy: -287.917
Base-Backbone interact. energy: -0.136
local terms energy: -328.894541
where:
bonds (distance) C4'-P energy: -57.466
bonds (distance) P-C4' energy: -60.820
flat angles C4'-P-C4' energy: -76.526
flat angles P-C4'-P energy: -50.512
tors. eta vs tors. theta energy: -83.570
Dist. restrs. and SS energy: 4.456 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -927.800264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.800264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.955294 (E_RNA)
where:
Base-Base interactions energy: -647.584
where: short stacking energy: -261.931
Base-Backbone interact. energy: -1.263
local terms energy: -282.107805
where:
bonds (distance) C4'-P energy: -57.212
bonds (distance) P-C4' energy: -58.752
flat angles C4'-P-C4' energy: -63.401
flat angles P-C4'-P energy: -38.832
tors. eta vs tors. theta energy: -63.912
Dist. restrs. and SS energy: 3.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -889.488404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.488404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.629439 (E_RNA)
where:
Base-Base interactions energy: -621.584
where: short stacking energy: -232.568
Base-Backbone interact. energy: -1.796
local terms energy: -269.248955
where:
bonds (distance) C4'-P energy: -66.486
bonds (distance) P-C4' energy: -52.668
flat angles C4'-P-C4' energy: -63.159
flat angles P-C4'-P energy: -39.028
tors. eta vs tors. theta energy: -47.908
Dist. restrs. and SS energy: 3.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -882.932954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.932954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.574829 (E_RNA)
where:
Base-Base interactions energy: -631.907
where: short stacking energy: -253.004
Base-Backbone interact. energy: -2.070
local terms energy: -253.598415
where:
bonds (distance) C4'-P energy: -55.897
bonds (distance) P-C4' energy: -58.137
flat angles C4'-P-C4' energy: -45.205
flat angles P-C4'-P energy: -31.281
tors. eta vs tors. theta energy: -63.078
Dist. restrs. and SS energy: 4.642 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -767.863968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.863968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.585629 (E_RNA)
where:
Base-Base interactions energy: -527.876
where: short stacking energy: -187.963
Base-Backbone interact. energy: 1.858
local terms energy: -252.567508
where:
bonds (distance) C4'-P energy: -70.158
bonds (distance) P-C4' energy: -58.574
flat angles C4'-P-C4' energy: -50.910
flat angles P-C4'-P energy: -32.860
tors. eta vs tors. theta energy: -40.065
Dist. restrs. and SS energy: 10.722 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -1210.568380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.568380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.183158 (E_RNA)
where:
Base-Base interactions energy: -869.621
where: short stacking energy: -328.069
Base-Backbone interact. energy: -2.285
local terms energy: -341.277356
where:
bonds (distance) C4'-P energy: -62.216
bonds (distance) P-C4' energy: -71.337
flat angles C4'-P-C4' energy: -74.303
flat angles P-C4'-P energy: -42.530
tors. eta vs tors. theta energy: -90.892
Dist. restrs. and SS energy: 2.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -1181.341353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.341353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.120719 (E_RNA)
where:
Base-Base interactions energy: -823.085
where: short stacking energy: -341.806
Base-Backbone interact. energy: -0.034
local terms energy: -361.001113
where:
bonds (distance) C4'-P energy: -67.692
bonds (distance) P-C4' energy: -69.853
flat angles C4'-P-C4' energy: -77.583
flat angles P-C4'-P energy: -56.229
tors. eta vs tors. theta energy: -89.643
Dist. restrs. and SS energy: 2.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -1133.784830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.784830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.714530 (E_RNA)
where:
Base-Base interactions energy: -800.503
where: short stacking energy: -317.655
Base-Backbone interact. energy: -2.956
local terms energy: -334.255616
where:
bonds (distance) C4'-P energy: -63.583
bonds (distance) P-C4' energy: -67.991
flat angles C4'-P-C4' energy: -65.848
flat angles P-C4'-P energy: -50.486
tors. eta vs tors. theta energy: -86.348
Dist. restrs. and SS energy: 3.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -1131.345398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.345398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.434844 (E_RNA)
where:
Base-Base interactions energy: -790.689
where: short stacking energy: -329.300
Base-Backbone interact. energy: 0.241
local terms energy: -343.986835
where:
bonds (distance) C4'-P energy: -67.776
bonds (distance) P-C4' energy: -68.633
flat angles C4'-P-C4' energy: -67.697
flat angles P-C4'-P energy: -52.191
tors. eta vs tors. theta energy: -87.690
Dist. restrs. and SS energy: 3.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -1032.293373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.293373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.901525 (E_RNA)
where:
Base-Base interactions energy: -719.585
where: short stacking energy: -277.297
Base-Backbone interact. energy: -0.177
local terms energy: -315.139047
where:
bonds (distance) C4'-P energy: -52.676
bonds (distance) P-C4' energy: -60.356
flat angles C4'-P-C4' energy: -79.387
flat angles P-C4'-P energy: -41.220
tors. eta vs tors. theta energy: -81.500
Dist. restrs. and SS energy: 2.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -1017.950504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.950504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.870312 (E_RNA)
where:
Base-Base interactions energy: -696.504
where: short stacking energy: -293.743
Base-Backbone interact. energy: 0.282
local terms energy: -330.648744
where:
bonds (distance) C4'-P energy: -55.505
bonds (distance) P-C4' energy: -75.265
flat angles C4'-P-C4' energy: -72.557
flat angles P-C4'-P energy: -48.672
tors. eta vs tors. theta energy: -78.649
Dist. restrs. and SS energy: 8.920 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -915.169577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.169577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.986031 (E_RNA)
where:
Base-Base interactions energy: -647.925
where: short stacking energy: -241.804
Base-Backbone interact. energy: 0.254
local terms energy: -271.314431
where:
bonds (distance) C4'-P energy: -52.193
bonds (distance) P-C4' energy: -48.939
flat angles C4'-P-C4' energy: -72.773
flat angles P-C4'-P energy: -50.767
tors. eta vs tors. theta energy: -46.643
Dist. restrs. and SS energy: 3.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -891.300038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.300038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.879245 (E_RNA)
where:
Base-Base interactions energy: -625.688
where: short stacking energy: -242.789
Base-Backbone interact. energy: -0.390
local terms energy: -269.801107
where:
bonds (distance) C4'-P energy: -56.903
bonds (distance) P-C4' energy: -52.963
flat angles C4'-P-C4' energy: -60.021
flat angles P-C4'-P energy: -41.203
tors. eta vs tors. theta energy: -58.712
Dist. restrs. and SS energy: 4.579 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -886.554380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.554380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.602486 (E_RNA)
where:
Base-Base interactions energy: -619.679
where: short stacking energy: -244.414
Base-Backbone interact. energy: 0.157
local terms energy: -275.080764
where:
bonds (distance) C4'-P energy: -48.221
bonds (distance) P-C4' energy: -48.044
flat angles C4'-P-C4' energy: -67.134
flat angles P-C4'-P energy: -42.338
tors. eta vs tors. theta energy: -69.345
Dist. restrs. and SS energy: 8.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -775.291335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.291335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.125298 (E_RNA)
where:
Base-Base interactions energy: -542.481
where: short stacking energy: -204.602
Base-Backbone interact. energy: -1.397
local terms energy: -248.247003
where:
bonds (distance) C4'-P energy: -49.814
bonds (distance) P-C4' energy: -64.198
flat angles C4'-P-C4' energy: -58.379
flat angles P-C4'-P energy: -30.145
tors. eta vs tors. theta energy: -45.711
Dist. restrs. and SS energy: 16.834 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -1213.676578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.676578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.329090 (E_RNA)
where:
Base-Base interactions energy: -847.600
where: short stacking energy: -324.631
Base-Backbone interact. energy: -0.152
local terms energy: -368.576791
where:
bonds (distance) C4'-P energy: -64.921
bonds (distance) P-C4' energy: -73.026
flat angles C4'-P-C4' energy: -85.332
flat angles P-C4'-P energy: -50.185
tors. eta vs tors. theta energy: -95.113
Dist. restrs. and SS energy: 2.653 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -1192.307779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.307779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.946313 (E_RNA)
where:
Base-Base interactions energy: -853.084
where: short stacking energy: -339.715
Base-Backbone interact. energy: -1.622
local terms energy: -340.240461
where:
bonds (distance) C4'-P energy: -57.261
bonds (distance) P-C4' energy: -67.054
flat angles C4'-P-C4' energy: -71.929
flat angles P-C4'-P energy: -50.398
tors. eta vs tors. theta energy: -93.599
Dist. restrs. and SS energy: 2.639 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -1149.918328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.918328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.960913 (E_RNA)
where:
Base-Base interactions energy: -819.470
where: short stacking energy: -332.193
Base-Backbone interact. energy: -3.142
local terms energy: -331.349370
where:
bonds (distance) C4'-P energy: -58.691
bonds (distance) P-C4' energy: -58.572
flat angles C4'-P-C4' energy: -72.598
flat angles P-C4'-P energy: -43.035
tors. eta vs tors. theta energy: -98.454
Dist. restrs. and SS energy: 4.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -1081.947935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.947935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.745019 (E_RNA)
where:
Base-Base interactions energy: -777.626
where: short stacking energy: -311.083
Base-Backbone interact. energy: 2.273
local terms energy: -309.392337
where:
bonds (distance) C4'-P energy: -58.777
bonds (distance) P-C4' energy: -65.677
flat angles C4'-P-C4' energy: -66.434
flat angles P-C4'-P energy: -33.824
tors. eta vs tors. theta energy: -84.680
Dist. restrs. and SS energy: 2.797 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -1022.017643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.017643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.320984 (E_RNA)
where:
Base-Base interactions energy: -715.352
where: short stacking energy: -299.085
Base-Backbone interact. energy: -0.922
local terms energy: -309.046907
where:
bonds (distance) C4'-P energy: -69.538
bonds (distance) P-C4' energy: -53.764
flat angles C4'-P-C4' energy: -72.578
flat angles P-C4'-P energy: -38.022
tors. eta vs tors. theta energy: -75.145
Dist. restrs. and SS energy: 3.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -1007.258362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.258362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.087202 (E_RNA)
where:
Base-Base interactions energy: -700.926
where: short stacking energy: -282.976
Base-Backbone interact. energy: -1.201
local terms energy: -313.960860
where:
bonds (distance) C4'-P energy: -60.178
bonds (distance) P-C4' energy: -67.306
flat angles C4'-P-C4' energy: -63.021
flat angles P-C4'-P energy: -44.186
tors. eta vs tors. theta energy: -79.270
Dist. restrs. and SS energy: 8.829 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -980.611865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.611865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.609045 (E_RNA)
where:
Base-Base interactions energy: -677.438
where: short stacking energy: -266.608
Base-Backbone interact. energy: 0.153
local terms energy: -306.323476
where:
bonds (distance) C4'-P energy: -58.184
bonds (distance) P-C4' energy: -66.767
flat angles C4'-P-C4' energy: -66.611
flat angles P-C4'-P energy: -44.789
tors. eta vs tors. theta energy: -69.973
Dist. restrs. and SS energy: 2.997 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -892.300807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.300807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.726005 (E_RNA)
where:
Base-Base interactions energy: -611.402
where: short stacking energy: -252.074
Base-Backbone interact. energy: 0.128
local terms energy: -288.451684
where:
bonds (distance) C4'-P energy: -63.218
bonds (distance) P-C4' energy: -59.202
flat angles C4'-P-C4' energy: -55.437
flat angles P-C4'-P energy: -41.702
tors. eta vs tors. theta energy: -68.893
Dist. restrs. and SS energy: 7.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -871.250804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.250804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.534266 (E_RNA)
where:
Base-Base interactions energy: -612.485
where: short stacking energy: -234.970
Base-Backbone interact. energy: -1.973
local terms energy: -260.076322
where:
bonds (distance) C4'-P energy: -52.218
bonds (distance) P-C4' energy: -57.078
flat angles C4'-P-C4' energy: -56.816
flat angles P-C4'-P energy: -42.159
tors. eta vs tors. theta energy: -51.806
Dist. restrs. and SS energy: 3.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -780.354999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.354999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.035951 (E_RNA)
where:
Base-Base interactions energy: -546.568
where: short stacking energy: -238.189
Base-Backbone interact. energy: -1.777
local terms energy: -243.691380
where:
bonds (distance) C4'-P energy: -52.199
bonds (distance) P-C4' energy: -55.467
flat angles C4'-P-C4' energy: -51.348
flat angles P-C4'-P energy: -31.970
tors. eta vs tors. theta energy: -52.707
Dist. restrs. and SS energy: 11.681 (S_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: 364
Temperature: 0.900000
Total energy: -1193.542356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.542356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.404907 (E_RNA)
where:
Base-Base interactions energy: -840.106
where: short stacking energy: -342.635
Base-Backbone interact. energy: -3.014
local terms energy: -355.284846
where:
bonds (distance) C4'-P energy: -59.345
bonds (distance) P-C4' energy: -69.676
flat angles C4'-P-C4' energy: -80.693
flat angles P-C4'-P energy: -43.831
tors. eta vs tors. theta energy: -101.739
Dist. restrs. and SS energy: 4.863 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -1191.435844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.435844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.042983 (E_RNA)
where:
Base-Base interactions energy: -842.682
where: short stacking energy: -337.596
Base-Backbone interact. energy: -2.199
local terms energy: -350.161889
where:
bonds (distance) C4'-P energy: -74.841
bonds (distance) P-C4' energy: -57.269
flat angles C4'-P-C4' energy: -72.791
flat angles P-C4'-P energy: -54.882
tors. eta vs tors. theta energy: -90.379
Dist. restrs. and SS energy: 3.607 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -1115.358790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.358790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.183394 (E_RNA)
where:
Base-Base interactions energy: -783.097
where: short stacking energy: -327.363
Base-Backbone interact. energy: -1.212
local terms energy: -333.874780
where:
bonds (distance) C4'-P energy: -53.126
bonds (distance) P-C4' energy: -67.502
flat angles C4'-P-C4' energy: -72.138
flat angles P-C4'-P energy: -54.231
tors. eta vs tors. theta energy: -86.878
Dist. restrs. and SS energy: 2.825 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -1107.827237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.827237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.028326 (E_RNA)
where:
Base-Base interactions energy: -789.887
where: short stacking energy: -318.400
Base-Backbone interact. energy: -2.587
local terms energy: -318.554452
where:
bonds (distance) C4'-P energy: -52.285
bonds (distance) P-C4' energy: -64.774
flat angles C4'-P-C4' energy: -64.486
flat angles P-C4'-P energy: -47.340
tors. eta vs tors. theta energy: -89.670
Dist. restrs. and SS energy: 3.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -1051.707959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.707959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.335856 (E_RNA)
where:
Base-Base interactions energy: -744.969
where: short stacking energy: -305.192
Base-Backbone interact. energy: 1.719
local terms energy: -314.086019
where:
bonds (distance) C4'-P energy: -50.633
bonds (distance) P-C4' energy: -62.924
flat angles C4'-P-C4' energy: -66.167
flat angles P-C4'-P energy: -48.319
tors. eta vs tors. theta energy: -86.043
Dist. restrs. and SS energy: 5.628 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -987.899969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.899969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.279417 (E_RNA)
where:
Base-Base interactions energy: -666.513
where: short stacking energy: -267.236
Base-Backbone interact. energy: -0.056
local terms energy: -328.710527
where:
bonds (distance) C4'-P energy: -62.469
bonds (distance) P-C4' energy: -64.160
flat angles C4'-P-C4' energy: -74.922
flat angles P-C4'-P energy: -45.393
tors. eta vs tors. theta energy: -81.766
Dist. restrs. and SS energy: 7.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -957.946184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.946184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.642023 (E_RNA)
where:
Base-Base interactions energy: -659.347
where: short stacking energy: -260.596
Base-Backbone interact. energy: -0.947
local terms energy: -304.348375
where:
bonds (distance) C4'-P energy: -69.029
bonds (distance) P-C4' energy: -60.850
flat angles C4'-P-C4' energy: -63.340
flat angles P-C4'-P energy: -39.090
tors. eta vs tors. theta energy: -72.040
Dist. restrs. and SS energy: 6.696 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -919.146469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.146469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.807020 (E_RNA)
where:
Base-Base interactions energy: -661.293
where: short stacking energy: -272.674
Base-Backbone interact. energy: 1.846
local terms energy: -263.359465
where:
bonds (distance) C4'-P energy: -43.482
bonds (distance) P-C4' energy: -52.131
flat angles C4'-P-C4' energy: -65.265
flat angles P-C4'-P energy: -32.678
tors. eta vs tors. theta energy: -69.803
Dist. restrs. and SS energy: 3.661 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -865.139398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.139398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.703807 (E_RNA)
where:
Base-Base interactions energy: -578.231
where: short stacking energy: -237.169
Base-Backbone interact. energy: -1.986
local terms energy: -290.487342
where:
bonds (distance) C4'-P energy: -51.825
bonds (distance) P-C4' energy: -64.237
flat angles C4'-P-C4' energy: -67.150
flat angles P-C4'-P energy: -41.500
tors. eta vs tors. theta energy: -65.775
Dist. restrs. and SS energy: 5.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -783.889025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.889025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.946951 (E_RNA)
where:
Base-Base interactions energy: -525.215
where: short stacking energy: -215.136
Base-Backbone interact. energy: -0.064
local terms energy: -269.668678
where:
bonds (distance) C4'-P energy: -57.541
bonds (distance) P-C4' energy: -58.260
flat angles C4'-P-C4' energy: -60.377
flat angles P-C4'-P energy: -46.926
tors. eta vs tors. theta energy: -46.565
Dist. restrs. and SS energy: 11.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -1166.449821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.449821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.324856 (E_RNA)
where:
Base-Base interactions energy: -827.320
where: short stacking energy: -343.856
Base-Backbone interact. energy: -1.145
local terms energy: -340.860105
where:
bonds (distance) C4'-P energy: -60.704
bonds (distance) P-C4' energy: -60.571
flat angles C4'-P-C4' energy: -72.102
flat angles P-C4'-P energy: -55.267
tors. eta vs tors. theta energy: -92.216
Dist. restrs. and SS energy: 2.875 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -1187.465318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.465318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.376624 (E_RNA)
where:
Base-Base interactions energy: -844.002
where: short stacking energy: -336.346
Base-Backbone interact. energy: -4.108
local terms energy: -343.266418
where:
bonds (distance) C4'-P energy: -60.146
bonds (distance) P-C4' energy: -66.299
flat angles C4'-P-C4' energy: -70.221
flat angles P-C4'-P energy: -47.679
tors. eta vs tors. theta energy: -98.920
Dist. restrs. and SS energy: 3.911 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -1149.944145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.944145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.020299 (E_RNA)
where:
Base-Base interactions energy: -806.541
where: short stacking energy: -341.715
Base-Backbone interact. energy: -1.974
local terms energy: -344.505667
where:
bonds (distance) C4'-P energy: -59.160
bonds (distance) P-C4' energy: -67.477
flat angles C4'-P-C4' energy: -75.761
flat angles P-C4'-P energy: -44.831
tors. eta vs tors. theta energy: -97.277
Dist. restrs. and SS energy: 3.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -1124.207572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.207572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.326093 (E_RNA)
where:
Base-Base interactions energy: -793.262
where: short stacking energy: -303.426
Base-Backbone interact. energy: -0.948
local terms energy: -333.115351
where:
bonds (distance) C4'-P energy: -68.598
bonds (distance) P-C4' energy: -63.648
flat angles C4'-P-C4' energy: -64.285
flat angles P-C4'-P energy: -47.692
tors. eta vs tors. theta energy: -88.893
Dist. restrs. and SS energy: 3.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -1039.498885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.498885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.936787 (E_RNA)
where:
Base-Base interactions energy: -726.316
where: short stacking energy: -307.245
Base-Backbone interact. energy: -1.374
local terms energy: -315.247174
where:
bonds (distance) C4'-P energy: -58.794
bonds (distance) P-C4' energy: -62.307
flat angles C4'-P-C4' energy: -72.194
flat angles P-C4'-P energy: -44.725
tors. eta vs tors. theta energy: -77.227
Dist. restrs. and SS energy: 3.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -1007.517857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.517857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.099766 (E_RNA)
where:
Base-Base interactions energy: -722.679
where: short stacking energy: -292.560
Base-Backbone interact. energy: 0.512
local terms energy: -289.932682
where:
bonds (distance) C4'-P energy: -57.096
bonds (distance) P-C4' energy: -53.675
flat angles C4'-P-C4' energy: -62.274
flat angles P-C4'-P energy: -43.406
tors. eta vs tors. theta energy: -73.482
Dist. restrs. and SS energy: 4.582 (S_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: 365
Temperature: 1.200000
Total energy: -938.199014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.199014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.287415 (E_RNA)
where:
Base-Base interactions energy: -667.383
where: short stacking energy: -259.599
Base-Backbone interact. energy: -1.536
local terms energy: -273.369026
where:
bonds (distance) C4'-P energy: -41.589
bonds (distance) P-C4' energy: -62.719
flat angles C4'-P-C4' energy: -50.093
flat angles P-C4'-P energy: -43.140
tors. eta vs tors. theta energy: -75.828
Dist. restrs. and SS energy: 4.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -890.356141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.356141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.514939 (E_RNA)
where:
Base-Base interactions energy: -609.205
where: short stacking energy: -243.851
Base-Backbone interact. energy: -1.409
local terms energy: -285.900722
where:
bonds (distance) C4'-P energy: -58.538
bonds (distance) P-C4' energy: -55.409
flat angles C4'-P-C4' energy: -67.305
flat angles P-C4'-P energy: -45.488
tors. eta vs tors. theta energy: -59.160
Dist. restrs. and SS energy: 6.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -878.498810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.498810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.885576 (E_RNA)
where:
Base-Base interactions energy: -615.027
where: short stacking energy: -253.938
Base-Backbone interact. energy: -0.792
local terms energy: -269.066670
where:
bonds (distance) C4'-P energy: -48.357
bonds (distance) P-C4' energy: -47.949
flat angles C4'-P-C4' energy: -62.015
flat angles P-C4'-P energy: -47.801
tors. eta vs tors. theta energy: -62.944
Dist. restrs. and SS energy: 6.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -751.617270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.617270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.616887 (E_RNA)
where:
Base-Base interactions energy: -507.792
where: short stacking energy: -195.565
Base-Backbone interact. energy: 1.914
local terms energy: -262.738559
where:
bonds (distance) C4'-P energy: -57.305
bonds (distance) P-C4' energy: -55.774
flat angles C4'-P-C4' energy: -69.775
flat angles P-C4'-P energy: -31.570
tors. eta vs tors. theta energy: -48.314
Dist. restrs. and SS energy: 17.000 (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: 366
Temperature: 0.900000
Total energy: -1211.584906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.584906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.592556 (E_RNA)
where:
Base-Base interactions energy: -851.387
where: short stacking energy: -348.719
Base-Backbone interact. energy: -3.698
local terms energy: -359.507024
where:
bonds (distance) C4'-P energy: -65.012
bonds (distance) P-C4' energy: -65.345
flat angles C4'-P-C4' energy: -73.226
flat angles P-C4'-P energy: -58.328
tors. eta vs tors. theta energy: -97.596
Dist. restrs. and SS energy: 3.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -1154.665231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.665231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.011666 (E_RNA)
where:
Base-Base interactions energy: -821.156
where: short stacking energy: -336.655
Base-Backbone interact. energy: 2.306
local terms energy: -339.161657
where:
bonds (distance) C4'-P energy: -54.860
bonds (distance) P-C4' energy: -64.545
flat angles C4'-P-C4' energy: -66.865
flat angles P-C4'-P energy: -55.547
tors. eta vs tors. theta energy: -97.345
Dist. restrs. and SS energy: 3.346 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -1110.914331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.914331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.812368 (E_RNA)
where:
Base-Base interactions energy: -784.120
where: short stacking energy: -316.514
Base-Backbone interact. energy: -1.291
local terms energy: -328.401368
where:
bonds (distance) C4'-P energy: -55.794
bonds (distance) P-C4' energy: -69.179
flat angles C4'-P-C4' energy: -66.051
flat angles P-C4'-P energy: -48.322
tors. eta vs tors. theta energy: -89.055
Dist. restrs. and SS energy: 2.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -1121.472164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.472164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.240507 (E_RNA)
where:
Base-Base interactions energy: -785.897
where: short stacking energy: -319.585
Base-Backbone interact. energy: 0.584
local terms energy: -339.926695
where:
bonds (distance) C4'-P energy: -60.279
bonds (distance) P-C4' energy: -60.798
flat angles C4'-P-C4' energy: -79.034
flat angles P-C4'-P energy: -58.670
tors. eta vs tors. theta energy: -81.146
Dist. restrs. and SS energy: 3.768 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -1021.705561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.705561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.895545 (E_RNA)
where:
Base-Base interactions energy: -697.764
where: short stacking energy: -288.752
Base-Backbone interact. energy: 0.796
local terms energy: -328.926805
where:
bonds (distance) C4'-P energy: -65.015
bonds (distance) P-C4' energy: -64.795
flat angles C4'-P-C4' energy: -69.964
flat angles P-C4'-P energy: -56.945
tors. eta vs tors. theta energy: -72.207
Dist. restrs. and SS energy: 4.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -1005.530116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.530116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.399566 (E_RNA)
where:
Base-Base interactions energy: -684.604
where: short stacking energy: -280.358
Base-Backbone interact. energy: -0.425
local terms energy: -325.370584
where:
bonds (distance) C4'-P energy: -69.784
bonds (distance) P-C4' energy: -52.497
flat angles C4'-P-C4' energy: -71.691
flat angles P-C4'-P energy: -47.801
tors. eta vs tors. theta energy: -83.597
Dist. restrs. and SS energy: 4.869 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -945.393131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.393131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.106662 (E_RNA)
where:
Base-Base interactions energy: -649.866
where: short stacking energy: -253.575
Base-Backbone interact. energy: 1.029
local terms energy: -303.269918
where:
bonds (distance) C4'-P energy: -53.064
bonds (distance) P-C4' energy: -68.574
flat angles C4'-P-C4' energy: -59.383
flat angles P-C4'-P energy: -51.840
tors. eta vs tors. theta energy: -70.410
Dist. restrs. and SS energy: 6.714 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -861.398212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.398212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.823564 (E_RNA)
where:
Base-Base interactions energy: -608.542
where: short stacking energy: -228.527
Base-Backbone interact. energy: 1.927
local terms energy: -262.208173
where:
bonds (distance) C4'-P energy: -41.702
bonds (distance) P-C4' energy: -55.085
flat angles C4'-P-C4' energy: -65.334
flat angles P-C4'-P energy: -39.429
tors. eta vs tors. theta energy: -60.658
Dist. restrs. and SS energy: 7.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -862.281881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.281881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.286685 (E_RNA)
where:
Base-Base interactions energy: -590.882
where: short stacking energy: -226.682
Base-Backbone interact. energy: -1.103
local terms energy: -277.301054
where:
bonds (distance) C4'-P energy: -59.765
bonds (distance) P-C4' energy: -56.995
flat angles C4'-P-C4' energy: -67.124
flat angles P-C4'-P energy: -43.349
tors. eta vs tors. theta energy: -50.067
Dist. restrs. and SS energy: 7.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -777.107366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.107366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.529273 (E_RNA)
where:
Base-Base interactions energy: -554.756
where: short stacking energy: -218.400
Base-Backbone interact. energy: -1.288
local terms energy: -237.485455
where:
bonds (distance) C4'-P energy: -58.071
bonds (distance) P-C4' energy: -63.645
flat angles C4'-P-C4' energy: -57.120
flat angles P-C4'-P energy: -27.992
tors. eta vs tors. theta energy: -30.658
Dist. restrs. and SS energy: 16.422 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -1235.531399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.531399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.835761 (E_RNA)
where:
Base-Base interactions energy: -856.303
where: short stacking energy: -350.045
Base-Backbone interact. energy: -3.073
local terms energy: -379.459656
where:
bonds (distance) C4'-P energy: -66.312
bonds (distance) P-C4' energy: -71.533
flat angles C4'-P-C4' energy: -80.213
flat angles P-C4'-P energy: -55.513
tors. eta vs tors. theta energy: -105.888
Dist. restrs. and SS energy: 3.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -1146.009453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.009453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.830241 (E_RNA)
where:
Base-Base interactions energy: -800.337
where: short stacking energy: -339.153
Base-Backbone interact. energy: -1.598
local terms energy: -346.895641
where:
bonds (distance) C4'-P energy: -59.734
bonds (distance) P-C4' energy: -61.976
flat angles C4'-P-C4' energy: -78.156
flat angles P-C4'-P energy: -54.036
tors. eta vs tors. theta energy: -92.994
Dist. restrs. and SS energy: 2.821 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -1119.329493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.329493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.383572 (E_RNA)
where:
Base-Base interactions energy: -800.363
where: short stacking energy: -328.863
Base-Backbone interact. energy: -0.834
local terms energy: -321.186639
where:
bonds (distance) C4'-P energy: -62.442
bonds (distance) P-C4' energy: -55.261
flat angles C4'-P-C4' energy: -80.137
flat angles P-C4'-P energy: -34.631
tors. eta vs tors. theta energy: -88.716
Dist. restrs. and SS energy: 3.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -1073.502180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.502180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.081056 (E_RNA)
where:
Base-Base interactions energy: -751.449
where: short stacking energy: -297.423
Base-Backbone interact. energy: -3.695
local terms energy: -321.937210
where:
bonds (distance) C4'-P energy: -60.706
bonds (distance) P-C4' energy: -71.278
flat angles C4'-P-C4' energy: -64.848
flat angles P-C4'-P energy: -43.007
tors. eta vs tors. theta energy: -82.100
Dist. restrs. and SS energy: 3.579 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -1029.715072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.715072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.106776 (E_RNA)
where:
Base-Base interactions energy: -699.581
where: short stacking energy: -278.063
Base-Backbone interact. energy: -1.382
local terms energy: -333.144120
where:
bonds (distance) C4'-P energy: -67.704
bonds (distance) P-C4' energy: -60.952
flat angles C4'-P-C4' energy: -80.017
flat angles P-C4'-P energy: -51.910
tors. eta vs tors. theta energy: -72.560
Dist. restrs. and SS energy: 4.392 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -993.952074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.952074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.482605 (E_RNA)
where:
Base-Base interactions energy: -668.465
where: short stacking energy: -273.306
Base-Backbone interact. energy: -1.246
local terms energy: -330.771605
where:
bonds (distance) C4'-P energy: -61.923
bonds (distance) P-C4' energy: -65.078
flat angles C4'-P-C4' energy: -70.711
flat angles P-C4'-P energy: -49.709
tors. eta vs tors. theta energy: -83.350
Dist. restrs. and SS energy: 6.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -962.369049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.369049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.007410 (E_RNA)
where:
Base-Base interactions energy: -678.515
where: short stacking energy: -267.125
Base-Backbone interact. energy: -1.424
local terms energy: -288.068638
where:
bonds (distance) C4'-P energy: -53.491
bonds (distance) P-C4' energy: -56.244
flat angles C4'-P-C4' energy: -62.856
flat angles P-C4'-P energy: -47.635
tors. eta vs tors. theta energy: -67.843
Dist. restrs. and SS energy: 5.638 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -908.852944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.852944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.143270 (E_RNA)
where:
Base-Base interactions energy: -655.096
where: short stacking energy: -251.426
Base-Backbone interact. energy: -2.685
local terms energy: -258.361956
where:
bonds (distance) C4'-P energy: -46.468
bonds (distance) P-C4' energy: -53.603
flat angles C4'-P-C4' energy: -66.428
flat angles P-C4'-P energy: -35.739
tors. eta vs tors. theta energy: -56.124
Dist. restrs. and SS energy: 7.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -881.113943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.113943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.785121 (E_RNA)
where:
Base-Base interactions energy: -635.056
where: short stacking energy: -266.058
Base-Backbone interact. energy: -1.822
local terms energy: -253.906579
where:
bonds (distance) C4'-P energy: -36.273
bonds (distance) P-C4' energy: -52.054
flat angles C4'-P-C4' energy: -64.704
flat angles P-C4'-P energy: -37.135
tors. eta vs tors. theta energy: -63.741
Dist. restrs. and SS energy: 9.671 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -794.941392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.941392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.299702 (E_RNA)
where:
Base-Base interactions energy: -555.412
where: short stacking energy: -230.763
Base-Backbone interact. energy: 1.112
local terms energy: -250.999493
where:
bonds (distance) C4'-P energy: -46.583
bonds (distance) P-C4' energy: -57.650
flat angles C4'-P-C4' energy: -57.229
flat angles P-C4'-P energy: -35.092
tors. eta vs tors. theta energy: -54.446
Dist. restrs. and SS energy: 10.358 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -1225.259616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.259616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.355008 (E_RNA)
where:
Base-Base interactions energy: -869.604
where: short stacking energy: -343.664
Base-Backbone interact. energy: 3.270
local terms energy: -363.021242
where:
bonds (distance) C4'-P energy: -79.096
bonds (distance) P-C4' energy: -65.860
flat angles C4'-P-C4' energy: -74.835
flat angles P-C4'-P energy: -49.438
tors. eta vs tors. theta energy: -93.793
Dist. restrs. and SS energy: 4.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -1189.873057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.873057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.301841 (E_RNA)
where:
Base-Base interactions energy: -829.447
where: short stacking energy: -333.073
Base-Backbone interact. energy: 1.305
local terms energy: -365.159320
where:
bonds (distance) C4'-P energy: -66.974
bonds (distance) P-C4' energy: -68.791
flat angles C4'-P-C4' energy: -77.384
flat angles P-C4'-P energy: -52.429
tors. eta vs tors. theta energy: -99.581
Dist. restrs. and SS energy: 3.429 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -1127.863723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.863723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.685532 (E_RNA)
where:
Base-Base interactions energy: -796.528
where: short stacking energy: -317.579
Base-Backbone interact. energy: -0.451
local terms energy: -334.706216
where:
bonds (distance) C4'-P energy: -51.043
bonds (distance) P-C4' energy: -65.471
flat angles C4'-P-C4' energy: -80.028
flat angles P-C4'-P energy: -48.687
tors. eta vs tors. theta energy: -89.477
Dist. restrs. and SS energy: 3.822 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -1071.836425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.836425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.008195 (E_RNA)
where:
Base-Base interactions energy: -742.371
where: short stacking energy: -308.345
Base-Backbone interact. energy: -1.231
local terms energy: -331.405972
where:
bonds (distance) C4'-P energy: -64.269
bonds (distance) P-C4' energy: -63.883
flat angles C4'-P-C4' energy: -71.516
flat angles P-C4'-P energy: -45.745
tors. eta vs tors. theta energy: -85.992
Dist. restrs. and SS energy: 3.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -1027.806797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.806797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.374625 (E_RNA)
where:
Base-Base interactions energy: -716.549
where: short stacking energy: -281.411
Base-Backbone interact. energy: -1.157
local terms energy: -313.667926
where:
bonds (distance) C4'-P energy: -55.292
bonds (distance) P-C4' energy: -65.897
flat angles C4'-P-C4' energy: -73.607
flat angles P-C4'-P energy: -38.708
tors. eta vs tors. theta energy: -80.165
Dist. restrs. and SS energy: 3.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -999.252708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.252708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.392105 (E_RNA)
where:
Base-Base interactions energy: -700.094
where: short stacking energy: -266.567
Base-Backbone interact. energy: 0.372
local terms energy: -302.670756
where:
bonds (distance) C4'-P energy: -69.459
bonds (distance) P-C4' energy: -67.935
flat angles C4'-P-C4' energy: -64.539
flat angles P-C4'-P energy: -29.067
tors. eta vs tors. theta energy: -71.671
Dist. restrs. and SS energy: 3.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -973.791666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.791666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.279567 (E_RNA)
where:
Base-Base interactions energy: -673.686
where: short stacking energy: -260.312
Base-Backbone interact. energy: -1.228
local terms energy: -302.365621
where:
bonds (distance) C4'-P energy: -64.038
bonds (distance) P-C4' energy: -50.446
flat angles C4'-P-C4' energy: -75.259
flat angles P-C4'-P energy: -44.903
tors. eta vs tors. theta energy: -67.720
Dist. restrs. and SS energy: 3.488 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -895.019467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.019467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.553081 (E_RNA)
where:
Base-Base interactions energy: -618.384
where: short stacking energy: -245.649
Base-Backbone interact. energy: -2.028
local terms energy: -282.141137
where:
bonds (distance) C4'-P energy: -57.891
bonds (distance) P-C4' energy: -59.502
flat angles C4'-P-C4' energy: -60.051
flat angles P-C4'-P energy: -42.240
tors. eta vs tors. theta energy: -62.457
Dist. restrs. and SS energy: 7.534 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -844.325330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.325330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.024109 (E_RNA)
where:
Base-Base interactions energy: -571.969
where: short stacking energy: -211.938
Base-Backbone interact. energy: -0.385
local terms energy: -281.669768
where:
bonds (distance) C4'-P energy: -62.561
bonds (distance) P-C4' energy: -57.548
flat angles C4'-P-C4' energy: -63.643
flat angles P-C4'-P energy: -37.499
tors. eta vs tors. theta energy: -60.419
Dist. restrs. and SS energy: 9.699 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -831.278551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.278551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.371099 (E_RNA)
where:
Base-Base interactions energy: -580.261
where: short stacking energy: -236.055
Base-Backbone interact. energy: -1.655
local terms energy: -259.455184
where:
bonds (distance) C4'-P energy: -57.209
bonds (distance) P-C4' energy: -57.112
flat angles C4'-P-C4' energy: -58.141
flat angles P-C4'-P energy: -31.795
tors. eta vs tors. theta energy: -55.199
Dist. restrs. and SS energy: 10.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -1213.573929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.573929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.885348 (E_RNA)
where:
Base-Base interactions energy: -864.889
where: short stacking energy: -329.908
Base-Backbone interact. energy: -0.732
local terms energy: -351.264366
where:
bonds (distance) C4'-P energy: -70.418
bonds (distance) P-C4' energy: -64.442
flat angles C4'-P-C4' energy: -71.444
flat angles P-C4'-P energy: -53.544
tors. eta vs tors. theta energy: -91.417
Dist. restrs. and SS energy: 3.311 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -1154.285047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.285047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.422210 (E_RNA)
where:
Base-Base interactions energy: -801.554
where: short stacking energy: -333.911
Base-Backbone interact. energy: -1.566
local terms energy: -354.302692
where:
bonds (distance) C4'-P energy: -70.414
bonds (distance) P-C4' energy: -71.440
flat angles C4'-P-C4' energy: -75.526
flat angles P-C4'-P energy: -52.458
tors. eta vs tors. theta energy: -84.466
Dist. restrs. and SS energy: 3.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -1128.377658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.377658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.335397 (E_RNA)
where:
Base-Base interactions energy: -794.192
where: short stacking energy: -330.597
Base-Backbone interact. energy: -1.309
local terms energy: -335.835183
where:
bonds (distance) C4'-P energy: -62.213
bonds (distance) P-C4' energy: -62.518
flat angles C4'-P-C4' energy: -80.836
flat angles P-C4'-P energy: -41.698
tors. eta vs tors. theta energy: -88.571
Dist. restrs. and SS energy: 2.958 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -1079.743899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.743899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.150915 (E_RNA)
where:
Base-Base interactions energy: -759.504
where: short stacking energy: -301.780
Base-Backbone interact. energy: 0.310
local terms energy: -323.956354
where:
bonds (distance) C4'-P energy: -58.407
bonds (distance) P-C4' energy: -62.083
flat angles C4'-P-C4' energy: -75.200
flat angles P-C4'-P energy: -46.973
tors. eta vs tors. theta energy: -81.294
Dist. restrs. and SS energy: 3.407 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -1027.318725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.318725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.527710 (E_RNA)
where:
Base-Base interactions energy: -731.379
where: short stacking energy: -287.079
Base-Backbone interact. energy: -1.635
local terms energy: -297.513637
where:
bonds (distance) C4'-P energy: -61.806
bonds (distance) P-C4' energy: -54.706
flat angles C4'-P-C4' energy: -64.848
flat angles P-C4'-P energy: -46.175
tors. eta vs tors. theta energy: -69.978
Dist. restrs. and SS energy: 3.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -1013.089322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.089322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.455727 (E_RNA)
where:
Base-Base interactions energy: -719.182
where: short stacking energy: -285.505
Base-Backbone interact. energy: 3.083
local terms energy: -300.356713
where:
bonds (distance) C4'-P energy: -54.987
bonds (distance) P-C4' energy: -59.701
flat angles C4'-P-C4' energy: -60.837
flat angles P-C4'-P energy: -39.164
tors. eta vs tors. theta energy: -85.667
Dist. restrs. and SS energy: 3.366 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -944.007067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.007067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.776069 (E_RNA)
where:
Base-Base interactions energy: -658.371
where: short stacking energy: -252.150
Base-Backbone interact. energy: 0.191
local terms energy: -288.596386
where:
bonds (distance) C4'-P energy: -60.463
bonds (distance) P-C4' energy: -64.500
flat angles C4'-P-C4' energy: -65.183
flat angles P-C4'-P energy: -41.993
tors. eta vs tors. theta energy: -56.456
Dist. restrs. and SS energy: 2.769 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -839.597423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.597423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.469137 (E_RNA)
where:
Base-Base interactions energy: -580.909
where: short stacking energy: -232.361
Base-Backbone interact. energy: -0.322
local terms energy: -270.238280
where:
bonds (distance) C4'-P energy: -53.400
bonds (distance) P-C4' energy: -67.371
flat angles C4'-P-C4' energy: -59.584
flat angles P-C4'-P energy: -41.932
tors. eta vs tors. theta energy: -47.953
Dist. restrs. and SS energy: 11.872 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -883.878072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.878072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.629981 (E_RNA)
where:
Base-Base interactions energy: -611.627
where: short stacking energy: -251.026
Base-Backbone interact. energy: -0.838
local terms energy: -275.165389
where:
bonds (distance) C4'-P energy: -57.020
bonds (distance) P-C4' energy: -53.329
flat angles C4'-P-C4' energy: -53.075
flat angles P-C4'-P energy: -43.193
tors. eta vs tors. theta energy: -68.548
Dist. restrs. and SS energy: 3.752 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -838.850345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.850345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.215427 (E_RNA)
where:
Base-Base interactions energy: -587.617
where: short stacking energy: -243.584
Base-Backbone interact. energy: 0.385
local terms energy: -259.983736
where:
bonds (distance) C4'-P energy: -66.046
bonds (distance) P-C4' energy: -50.713
flat angles C4'-P-C4' energy: -60.247
flat angles P-C4'-P energy: -28.769
tors. eta vs tors. theta energy: -54.208
Dist. restrs. and SS energy: 8.365 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -1238.191710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.191710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.137482 (E_RNA)
where:
Base-Base interactions energy: -874.128
where: short stacking energy: -343.358
Base-Backbone interact. energy: -0.514
local terms energy: -366.495623
where:
bonds (distance) C4'-P energy: -68.084
bonds (distance) P-C4' energy: -73.996
flat angles C4'-P-C4' energy: -82.112
flat angles P-C4'-P energy: -53.673
tors. eta vs tors. theta energy: -88.631
Dist. restrs. and SS energy: 2.946 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -1144.637451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.637451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.072429 (E_RNA)
where:
Base-Base interactions energy: -805.967
where: short stacking energy: -345.746
Base-Backbone interact. energy: -2.948
local terms energy: -344.156756
where:
bonds (distance) C4'-P energy: -65.945
bonds (distance) P-C4' energy: -68.531
flat angles C4'-P-C4' energy: -71.578
flat angles P-C4'-P energy: -46.278
tors. eta vs tors. theta energy: -91.824
Dist. restrs. and SS energy: 8.435 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -1117.615218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.615218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.892207 (E_RNA)
where:
Base-Base interactions energy: -770.548
where: short stacking energy: -319.374
Base-Backbone interact. energy: 0.488
local terms energy: -352.831830
where:
bonds (distance) C4'-P energy: -66.535
bonds (distance) P-C4' energy: -74.877
flat angles C4'-P-C4' energy: -69.707
flat angles P-C4'-P energy: -51.045
tors. eta vs tors. theta energy: -90.668
Dist. restrs. and SS energy: 5.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -1097.312467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.312467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.490864 (E_RNA)
where:
Base-Base interactions energy: -778.004
where: short stacking energy: -320.420
Base-Backbone interact. energy: -2.355
local terms energy: -320.132278
where:
bonds (distance) C4'-P energy: -62.966
bonds (distance) P-C4' energy: -63.849
flat angles C4'-P-C4' energy: -67.529
flat angles P-C4'-P energy: -41.184
tors. eta vs tors. theta energy: -84.605
Dist. restrs. and SS energy: 3.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -1053.855872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.855872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.049153 (E_RNA)
where:
Base-Base interactions energy: -739.327
where: short stacking energy: -290.164
Base-Backbone interact. energy: -2.003
local terms energy: -319.718925
where:
bonds (distance) C4'-P energy: -60.979
bonds (distance) P-C4' energy: -71.517
flat angles C4'-P-C4' energy: -67.512
flat angles P-C4'-P energy: -38.897
tors. eta vs tors. theta energy: -80.814
Dist. restrs. and SS energy: 7.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -1009.316728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.316728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.451360 (E_RNA)
where:
Base-Base interactions energy: -718.781
where: short stacking energy: -293.303
Base-Backbone interact. energy: -2.862
local terms energy: -290.808573
where:
bonds (distance) C4'-P energy: -54.224
bonds (distance) P-C4' energy: -55.878
flat angles C4'-P-C4' energy: -65.892
flat angles P-C4'-P energy: -34.658
tors. eta vs tors. theta energy: -80.157
Dist. restrs. and SS energy: 3.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -946.243245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.243245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.344163 (E_RNA)
where:
Base-Base interactions energy: -673.331
where: short stacking energy: -266.326
Base-Backbone interact. energy: -0.106
local terms energy: -276.907532
where:
bonds (distance) C4'-P energy: -66.763
bonds (distance) P-C4' energy: -43.811
flat angles C4'-P-C4' energy: -61.843
flat angles P-C4'-P energy: -33.127
tors. eta vs tors. theta energy: -71.364
Dist. restrs. and SS energy: 4.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -842.756524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.756524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.272791 (E_RNA)
where:
Base-Base interactions energy: -594.178
where: short stacking energy: -248.605
Base-Backbone interact. energy: -1.259
local terms energy: -258.836142
where:
bonds (distance) C4'-P energy: -40.144
bonds (distance) P-C4' energy: -57.493
flat angles C4'-P-C4' energy: -58.185
flat angles P-C4'-P energy: -41.872
tors. eta vs tors. theta energy: -61.141
Dist. restrs. and SS energy: 11.516 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -883.436606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.436606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.163234 (E_RNA)
where:
Base-Base interactions energy: -620.397
where: short stacking energy: -238.296
Base-Backbone interact. energy: -2.592
local terms energy: -265.173402
where:
bonds (distance) C4'-P energy: -53.115
bonds (distance) P-C4' energy: -57.114
flat angles C4'-P-C4' energy: -63.101
flat angles P-C4'-P energy: -39.133
tors. eta vs tors. theta energy: -52.711
Dist. restrs. and SS energy: 4.727 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -852.607630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.607630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.756431 (E_RNA)
where:
Base-Base interactions energy: -594.572
where: short stacking energy: -236.855
Base-Backbone interact. energy: 4.859
local terms energy: -273.043972
where:
bonds (distance) C4'-P energy: -53.015
bonds (distance) P-C4' energy: -55.650
flat angles C4'-P-C4' energy: -59.626
flat angles P-C4'-P energy: -42.949
tors. eta vs tors. theta energy: -61.804
Dist. restrs. and SS energy: 10.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -1240.687995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.687995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.686217 (E_RNA)
where:
Base-Base interactions energy: -898.056
where: short stacking energy: -348.709
Base-Backbone interact. energy: -0.745
local terms energy: -344.885300
where:
bonds (distance) C4'-P energy: -55.689
bonds (distance) P-C4' energy: -64.833
flat angles C4'-P-C4' energy: -76.275
flat angles P-C4'-P energy: -55.926
tors. eta vs tors. theta energy: -92.162
Dist. restrs. and SS energy: 2.998 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -1139.177844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.177844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.282215 (E_RNA)
where:
Base-Base interactions energy: -810.182
where: short stacking energy: -327.451
Base-Backbone interact. energy: -1.284
local terms energy: -336.816634
where:
bonds (distance) C4'-P energy: -61.188
bonds (distance) P-C4' energy: -68.431
flat angles C4'-P-C4' energy: -71.636
flat angles P-C4'-P energy: -52.871
tors. eta vs tors. theta energy: -82.689
Dist. restrs. and SS energy: 9.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -1143.185192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.185192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.476319 (E_RNA)
where:
Base-Base interactions energy: -796.295
where: short stacking energy: -332.380
Base-Backbone interact. energy: -0.239
local terms energy: -349.942163
where:
bonds (distance) C4'-P energy: -65.680
bonds (distance) P-C4' energy: -67.709
flat angles C4'-P-C4' energy: -76.762
flat angles P-C4'-P energy: -54.198
tors. eta vs tors. theta energy: -85.593
Dist. restrs. and SS energy: 3.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -1106.102307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.102307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.438792 (E_RNA)
where:
Base-Base interactions energy: -766.169
where: short stacking energy: -327.544
Base-Backbone interact. energy: -1.828
local terms energy: -341.441692
where:
bonds (distance) C4'-P energy: -58.804
bonds (distance) P-C4' energy: -58.727
flat angles C4'-P-C4' energy: -74.713
flat angles P-C4'-P energy: -51.825
tors. eta vs tors. theta energy: -97.373
Dist. restrs. and SS energy: 3.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -1075.379147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.379147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.558109 (E_RNA)
where:
Base-Base interactions energy: -775.450
where: short stacking energy: -304.989
Base-Backbone interact. energy: -3.920
local terms energy: -299.187937
where:
bonds (distance) C4'-P energy: -45.855
bonds (distance) P-C4' energy: -55.315
flat angles C4'-P-C4' energy: -68.938
flat angles P-C4'-P energy: -40.836
tors. eta vs tors. theta energy: -88.244
Dist. restrs. and SS energy: 3.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -990.185653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.185653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.831117 (E_RNA)
where:
Base-Base interactions energy: -686.137
where: short stacking energy: -278.030
Base-Backbone interact. energy: 0.006
local terms energy: -309.700444
where:
bonds (distance) C4'-P energy: -56.788
bonds (distance) P-C4' energy: -66.738
flat angles C4'-P-C4' energy: -65.086
flat angles P-C4'-P energy: -43.918
tors. eta vs tors. theta energy: -77.171
Dist. restrs. and SS energy: 5.645 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -993.619494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.619494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.250292 (E_RNA)
where:
Base-Base interactions energy: -685.580
where: short stacking energy: -280.542
Base-Backbone interact. energy: 0.606
local terms energy: -313.277211
where:
bonds (distance) C4'-P energy: -64.890
bonds (distance) P-C4' energy: -61.391
flat angles C4'-P-C4' energy: -66.239
flat angles P-C4'-P energy: -41.178
tors. eta vs tors. theta energy: -79.580
Dist. restrs. and SS energy: 4.631 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -896.430947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.430947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.480031 (E_RNA)
where:
Base-Base interactions energy: -637.638
where: short stacking energy: -254.769
Base-Backbone interact. energy: -2.968
local terms energy: -262.874320
where:
bonds (distance) C4'-P energy: -53.982
bonds (distance) P-C4' energy: -56.629
flat angles C4'-P-C4' energy: -63.728
flat angles P-C4'-P energy: -31.945
tors. eta vs tors. theta energy: -56.590
Dist. restrs. and SS energy: 7.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -834.128359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.128359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.219272 (E_RNA)
where:
Base-Base interactions energy: -576.362
where: short stacking energy: -227.534
Base-Backbone interact. energy: -2.643
local terms energy: -261.214184
where:
bonds (distance) C4'-P energy: -47.090
bonds (distance) P-C4' energy: -66.581
flat angles C4'-P-C4' energy: -55.621
flat angles P-C4'-P energy: -38.305
tors. eta vs tors. theta energy: -53.618
Dist. restrs. and SS energy: 6.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -830.501672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.501672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.009673 (E_RNA)
where:
Base-Base interactions energy: -581.347
where: short stacking energy: -229.197
Base-Backbone interact. energy: 2.509
local terms energy: -259.171599
where:
bonds (distance) C4'-P energy: -53.617
bonds (distance) P-C4' energy: -51.820
flat angles C4'-P-C4' energy: -57.479
flat angles P-C4'-P energy: -38.869
tors. eta vs tors. theta energy: -57.388
Dist. restrs. and SS energy: 7.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -1235.897251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.897251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.151031 (E_RNA)
where:
Base-Base interactions energy: -870.845
where: short stacking energy: -352.198
Base-Backbone interact. energy: -0.596
local terms energy: -367.709499
where:
bonds (distance) C4'-P energy: -67.320
bonds (distance) P-C4' energy: -75.769
flat angles C4'-P-C4' energy: -75.053
flat angles P-C4'-P energy: -55.861
tors. eta vs tors. theta energy: -93.706
Dist. restrs. and SS energy: 3.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -1154.451187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.451187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.547740 (E_RNA)
where:
Base-Base interactions energy: -820.700
where: short stacking energy: -346.834
Base-Backbone interact. energy: 0.157
local terms energy: -343.004285
where:
bonds (distance) C4'-P energy: -65.584
bonds (distance) P-C4' energy: -53.713
flat angles C4'-P-C4' energy: -76.171
flat angles P-C4'-P energy: -51.653
tors. eta vs tors. theta energy: -95.884
Dist. restrs. and SS energy: 9.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -1101.717548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.717548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.580634 (E_RNA)
where:
Base-Base interactions energy: -761.854
where: short stacking energy: -326.293
Base-Backbone interact. energy: -4.058
local terms energy: -339.668412
where:
bonds (distance) C4'-P energy: -64.096
bonds (distance) P-C4' energy: -71.712
flat angles C4'-P-C4' energy: -72.786
flat angles P-C4'-P energy: -48.336
tors. eta vs tors. theta energy: -82.738
Dist. restrs. and SS energy: 3.863 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -1095.107494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.107494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.849192 (E_RNA)
where:
Base-Base interactions energy: -773.303
where: short stacking energy: -304.368
Base-Backbone interact. energy: -0.225
local terms energy: -324.321413
where:
bonds (distance) C4'-P energy: -61.206
bonds (distance) P-C4' energy: -58.242
flat angles C4'-P-C4' energy: -75.517
flat angles P-C4'-P energy: -40.651
tors. eta vs tors. theta energy: -88.705
Dist. restrs. and SS energy: 2.742 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -1079.543893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.543893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.636565 (E_RNA)
where:
Base-Base interactions energy: -752.967
where: short stacking energy: -295.836
Base-Backbone interact. energy: -1.673
local terms energy: -327.995974
where:
bonds (distance) C4'-P energy: -62.334
bonds (distance) P-C4' energy: -67.013
flat angles C4'-P-C4' energy: -62.534
flat angles P-C4'-P energy: -48.898
tors. eta vs tors. theta energy: -87.217
Dist. restrs. and SS energy: 3.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -971.207917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.207917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.643855 (E_RNA)
where:
Base-Base interactions energy: -655.142
where: short stacking energy: -269.844
Base-Backbone interact. energy: -1.122
local terms energy: -320.380093
where:
bonds (distance) C4'-P energy: -64.145
bonds (distance) P-C4' energy: -69.079
flat angles C4'-P-C4' energy: -67.311
flat angles P-C4'-P energy: -42.666
tors. eta vs tors. theta energy: -77.180
Dist. restrs. and SS energy: 5.436 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -978.232327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.232327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.916972 (E_RNA)
where:
Base-Base interactions energy: -677.726
where: short stacking energy: -272.423
Base-Backbone interact. energy: -1.444
local terms energy: -302.747720
where:
bonds (distance) C4'-P energy: -51.809
bonds (distance) P-C4' energy: -61.401
flat angles C4'-P-C4' energy: -65.037
flat angles P-C4'-P energy: -49.174
tors. eta vs tors. theta energy: -75.327
Dist. restrs. and SS energy: 3.685 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -890.752927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.752927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.782902 (E_RNA)
where:
Base-Base interactions energy: -624.815
where: short stacking energy: -246.420
Base-Backbone interact. energy: -0.337
local terms energy: -269.630091
where:
bonds (distance) C4'-P energy: -64.079
bonds (distance) P-C4' energy: -55.407
flat angles C4'-P-C4' energy: -64.958
flat angles P-C4'-P energy: -31.555
tors. eta vs tors. theta energy: -53.631
Dist. restrs. and SS energy: 4.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -826.434815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.434815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.087729 (E_RNA)
where:
Base-Base interactions energy: -591.875
where: short stacking energy: -233.689
Base-Backbone interact. energy: -0.919
local terms energy: -245.294205
where:
bonds (distance) C4'-P energy: -48.285
bonds (distance) P-C4' energy: -43.883
flat angles C4'-P-C4' energy: -54.057
flat angles P-C4'-P energy: -42.458
tors. eta vs tors. theta energy: -56.611
Dist. restrs. and SS energy: 11.653 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -858.354831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.354831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.567961 (E_RNA)
where:
Base-Base interactions energy: -591.079
where: short stacking energy: -228.892
Base-Backbone interact. energy: -1.194
local terms energy: -273.295046
where:
bonds (distance) C4'-P energy: -47.724
bonds (distance) P-C4' energy: -59.414
flat angles C4'-P-C4' energy: -71.000
flat angles P-C4'-P energy: -41.258
tors. eta vs tors. theta energy: -53.900
Dist. restrs. and SS energy: 7.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -1218.118940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.118940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.035365 (E_RNA)
where:
Base-Base interactions energy: -865.333
where: short stacking energy: -346.441
Base-Backbone interact. energy: -4.061
local terms energy: -351.641579
where:
bonds (distance) C4'-P energy: -66.602
bonds (distance) P-C4' energy: -68.208
flat angles C4'-P-C4' energy: -64.455
flat angles P-C4'-P energy: -55.222
tors. eta vs tors. theta energy: -97.155
Dist. restrs. and SS energy: 2.916 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -1169.729365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.729365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.156086 (E_RNA)
where:
Base-Base interactions energy: -807.166
where: short stacking energy: -332.644
Base-Backbone interact. energy: -1.383
local terms energy: -365.607183
where:
bonds (distance) C4'-P energy: -69.869
bonds (distance) P-C4' energy: -70.696
flat angles C4'-P-C4' energy: -78.919
flat angles P-C4'-P energy: -50.723
tors. eta vs tors. theta energy: -95.400
Dist. restrs. and SS energy: 4.427 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -1087.441535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.441535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.273042 (E_RNA)
where:
Base-Base interactions energy: -772.661
where: short stacking energy: -306.933
Base-Backbone interact. energy: -0.595
local terms energy: -318.017397
where:
bonds (distance) C4'-P energy: -61.406
bonds (distance) P-C4' energy: -69.679
flat angles C4'-P-C4' energy: -69.250
flat angles P-C4'-P energy: -44.558
tors. eta vs tors. theta energy: -73.126
Dist. restrs. and SS energy: 3.832 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -1085.638833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.638833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.324157 (E_RNA)
where:
Base-Base interactions energy: -751.351
where: short stacking energy: -316.015
Base-Backbone interact. energy: -1.165
local terms energy: -336.807949
where:
bonds (distance) C4'-P energy: -55.788
bonds (distance) P-C4' energy: -71.265
flat angles C4'-P-C4' energy: -68.727
flat angles P-C4'-P energy: -50.813
tors. eta vs tors. theta energy: -90.215
Dist. restrs. and SS energy: 3.685 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -1035.498184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.498184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.920681 (E_RNA)
where:
Base-Base interactions energy: -711.761
where: short stacking energy: -287.742
Base-Backbone interact. energy: -1.136
local terms energy: -329.023618
where:
bonds (distance) C4'-P energy: -62.945
bonds (distance) P-C4' energy: -69.807
flat angles C4'-P-C4' energy: -71.851
flat angles P-C4'-P energy: -50.825
tors. eta vs tors. theta energy: -73.596
Dist. restrs. and SS energy: 6.422 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -991.659279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.659279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.255672 (E_RNA)
where:
Base-Base interactions energy: -699.779
where: short stacking energy: -286.905
Base-Backbone interact. energy: 2.626
local terms energy: -297.102314
where:
bonds (distance) C4'-P energy: -58.194
bonds (distance) P-C4' energy: -65.784
flat angles C4'-P-C4' energy: -66.136
flat angles P-C4'-P energy: -41.705
tors. eta vs tors. theta energy: -65.284
Dist. restrs. and SS energy: 2.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -970.632034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.632034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.291960 (E_RNA)
where:
Base-Base interactions energy: -688.988
where: short stacking energy: -268.051
Base-Backbone interact. energy: -1.439
local terms energy: -283.864394
where:
bonds (distance) C4'-P energy: -57.212
bonds (distance) P-C4' energy: -52.820
flat angles C4'-P-C4' energy: -60.058
flat angles P-C4'-P energy: -42.144
tors. eta vs tors. theta energy: -71.630
Dist. restrs. and SS energy: 3.660 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -888.685454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.685454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.210980 (E_RNA)
where:
Base-Base interactions energy: -605.271
where: short stacking energy: -232.147
Base-Backbone interact. energy: -0.633
local terms energy: -287.306854
where:
bonds (distance) C4'-P energy: -57.355
bonds (distance) P-C4' energy: -62.331
flat angles C4'-P-C4' energy: -70.381
flat angles P-C4'-P energy: -36.980
tors. eta vs tors. theta energy: -60.260
Dist. restrs. and SS energy: 4.526 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -812.401801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.401801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.047545 (E_RNA)
where:
Base-Base interactions energy: -562.255
where: short stacking energy: -210.827
Base-Backbone interact. energy: -1.458
local terms energy: -256.334569
where:
bonds (distance) C4'-P energy: -56.934
bonds (distance) P-C4' energy: -53.420
flat angles C4'-P-C4' energy: -64.874
flat angles P-C4'-P energy: -39.406
tors. eta vs tors. theta energy: -41.701
Dist. restrs. and SS energy: 7.646 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -860.381328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.381328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.773945 (E_RNA)
where:
Base-Base interactions energy: -595.127
where: short stacking energy: -228.949
Base-Backbone interact. energy: -0.119
local terms energy: -271.527679
where:
bonds (distance) C4'-P energy: -53.689
bonds (distance) P-C4' energy: -61.223
flat angles C4'-P-C4' energy: -64.422
flat angles P-C4'-P energy: -41.395
tors. eta vs tors. theta energy: -50.799
Dist. restrs. and SS energy: 6.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -1211.408327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.408327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.390791 (E_RNA)
where:
Base-Base interactions energy: -853.109
where: short stacking energy: -342.089
Base-Backbone interact. energy: -3.146
local terms energy: -358.135630
where:
bonds (distance) C4'-P energy: -61.853
bonds (distance) P-C4' energy: -70.639
flat angles C4'-P-C4' energy: -72.213
flat angles P-C4'-P energy: -53.234
tors. eta vs tors. theta energy: -100.196
Dist. restrs. and SS energy: 2.982 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -1203.959037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.959037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.658589 (E_RNA)
where:
Base-Base interactions energy: -840.294
where: short stacking energy: -339.826
Base-Backbone interact. energy: -1.002
local terms energy: -365.362617
where:
bonds (distance) C4'-P energy: -72.022
bonds (distance) P-C4' energy: -64.800
flat angles C4'-P-C4' energy: -73.647
flat angles P-C4'-P energy: -62.685
tors. eta vs tors. theta energy: -92.210
Dist. restrs. and SS energy: 2.700 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -1124.098831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.098831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.216776 (E_RNA)
where:
Base-Base interactions energy: -782.401
where: short stacking energy: -313.574
Base-Backbone interact. energy: -1.990
local terms energy: -342.825209
where:
bonds (distance) C4'-P energy: -71.944
bonds (distance) P-C4' energy: -63.067
flat angles C4'-P-C4' energy: -73.012
flat angles P-C4'-P energy: -48.417
tors. eta vs tors. theta energy: -86.386
Dist. restrs. and SS energy: 3.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -1088.916246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.916246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.620958 (E_RNA)
where:
Base-Base interactions energy: -766.794
where: short stacking energy: -295.336
Base-Backbone interact. energy: 3.524
local terms energy: -330.350330
where:
bonds (distance) C4'-P energy: -63.092
bonds (distance) P-C4' energy: -64.267
flat angles C4'-P-C4' energy: -67.008
flat angles P-C4'-P energy: -55.537
tors. eta vs tors. theta energy: -80.447
Dist. restrs. and SS energy: 4.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -1036.602096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.602096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.091787 (E_RNA)
where:
Base-Base interactions energy: -727.376
where: short stacking energy: -301.526
Base-Backbone interact. energy: -2.888
local terms energy: -310.828001
where:
bonds (distance) C4'-P energy: -59.558
bonds (distance) P-C4' energy: -53.541
flat angles C4'-P-C4' energy: -75.646
flat angles P-C4'-P energy: -46.075
tors. eta vs tors. theta energy: -76.008
Dist. restrs. and SS energy: 4.490 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -1016.639009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.639009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.207864 (E_RNA)
where:
Base-Base interactions energy: -715.996
where: short stacking energy: -296.410
Base-Backbone interact. energy: -1.512
local terms energy: -303.700028
where:
bonds (distance) C4'-P energy: -48.218
bonds (distance) P-C4' energy: -51.861
flat angles C4'-P-C4' energy: -69.998
flat angles P-C4'-P energy: -43.291
tors. eta vs tors. theta energy: -90.332
Dist. restrs. and SS energy: 4.569 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -1000.964681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.964681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.134202 (E_RNA)
where:
Base-Base interactions energy: -714.488
where: short stacking energy: -290.884
Base-Backbone interact. energy: 0.515
local terms energy: -291.161032
where:
bonds (distance) C4'-P energy: -44.788
bonds (distance) P-C4' energy: -57.493
flat angles C4'-P-C4' energy: -68.218
flat angles P-C4'-P energy: -43.623
tors. eta vs tors. theta energy: -77.039
Dist. restrs. and SS energy: 4.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -913.537690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.537690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.191550 (E_RNA)
where:
Base-Base interactions energy: -644.828
where: short stacking energy: -239.881
Base-Backbone interact. energy: -2.010
local terms energy: -272.354061
where:
bonds (distance) C4'-P energy: -60.413
bonds (distance) P-C4' energy: -55.524
flat angles C4'-P-C4' energy: -64.214
flat angles P-C4'-P energy: -43.044
tors. eta vs tors. theta energy: -49.159
Dist. restrs. and SS energy: 5.654 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -902.670312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.670312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.694569 (E_RNA)
where:
Base-Base interactions energy: -637.575
where: short stacking energy: -264.540
Base-Backbone interact. energy: -1.902
local terms energy: -274.217325
where:
bonds (distance) C4'-P energy: -58.433
bonds (distance) P-C4' energy: -45.636
flat angles C4'-P-C4' energy: -63.722
flat angles P-C4'-P energy: -39.465
tors. eta vs tors. theta energy: -66.962
Dist. restrs. and SS energy: 11.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -814.071774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.071774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.400996 (E_RNA)
where:
Base-Base interactions energy: -597.708
where: short stacking energy: -231.836
Base-Backbone interact. energy: -2.269
local terms energy: -231.424194
where:
bonds (distance) C4'-P energy: -35.710
bonds (distance) P-C4' energy: -57.147
flat angles C4'-P-C4' energy: -57.415
flat angles P-C4'-P energy: -33.392
tors. eta vs tors. theta energy: -47.760
Dist. restrs. and SS energy: 17.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -1214.830870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.830870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.684785 (E_RNA)
where:
Base-Base interactions energy: -865.614
where: short stacking energy: -360.104
Base-Backbone interact. energy: -0.530
local terms energy: -351.540400
where:
bonds (distance) C4'-P energy: -68.087
bonds (distance) P-C4' energy: -58.229
flat angles C4'-P-C4' energy: -76.170
flat angles P-C4'-P energy: -53.511
tors. eta vs tors. theta energy: -95.544
Dist. restrs. and SS energy: 2.854 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -1167.129287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.129287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.294430 (E_RNA)
where:
Base-Base interactions energy: -805.787
where: short stacking energy: -319.058
Base-Backbone interact. energy: -2.558
local terms energy: -361.949933
where:
bonds (distance) C4'-P energy: -67.982
bonds (distance) P-C4' energy: -64.993
flat angles C4'-P-C4' energy: -75.904
flat angles P-C4'-P energy: -57.976
tors. eta vs tors. theta energy: -95.094
Dist. restrs. and SS energy: 3.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -1131.778578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.778578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.592667 (E_RNA)
where:
Base-Base interactions energy: -797.547
where: short stacking energy: -317.366
Base-Backbone interact. energy: -2.612
local terms energy: -336.433811
where:
bonds (distance) C4'-P energy: -71.376
bonds (distance) P-C4' energy: -73.857
flat angles C4'-P-C4' energy: -61.497
flat angles P-C4'-P energy: -50.648
tors. eta vs tors. theta energy: -79.056
Dist. restrs. and SS energy: 4.814 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -1077.656352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.656352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.140271 (E_RNA)
where:
Base-Base interactions energy: -751.010
where: short stacking energy: -309.352
Base-Backbone interact. energy: 0.400
local terms energy: -330.529670
where:
bonds (distance) C4'-P energy: -70.280
bonds (distance) P-C4' energy: -65.373
flat angles C4'-P-C4' energy: -69.269
flat angles P-C4'-P energy: -47.447
tors. eta vs tors. theta energy: -78.162
Dist. restrs. and SS energy: 3.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -1037.107116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.107116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.299617 (E_RNA)
where:
Base-Base interactions energy: -722.744
where: short stacking energy: -284.166
Base-Backbone interact. energy: -1.895
local terms energy: -315.660155
where:
bonds (distance) C4'-P energy: -57.068
bonds (distance) P-C4' energy: -64.159
flat angles C4'-P-C4' energy: -73.701
flat angles P-C4'-P energy: -42.897
tors. eta vs tors. theta energy: -77.835
Dist. restrs. and SS energy: 3.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -973.867508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.867508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.628147 (E_RNA)
where:
Base-Base interactions energy: -692.882
where: short stacking energy: -269.729
Base-Backbone interact. energy: -0.800
local terms energy: -290.946487
where:
bonds (distance) C4'-P energy: -60.434
bonds (distance) P-C4' energy: -65.779
flat angles C4'-P-C4' energy: -64.317
flat angles P-C4'-P energy: -31.197
tors. eta vs tors. theta energy: -69.219
Dist. restrs. and SS energy: 10.761 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -942.907087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.907087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.312573 (E_RNA)
where:
Base-Base interactions energy: -671.575
where: short stacking energy: -271.444
Base-Backbone interact. energy: 2.514
local terms energy: -277.250947
where:
bonds (distance) C4'-P energy: -56.214
bonds (distance) P-C4' energy: -55.563
flat angles C4'-P-C4' energy: -67.819
flat angles P-C4'-P energy: -31.647
tors. eta vs tors. theta energy: -66.009
Dist. restrs. and SS energy: 3.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -923.467436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.467436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.116092 (E_RNA)
where:
Base-Base interactions energy: -653.698
where: short stacking energy: -265.836
Base-Backbone interact. energy: -2.987
local terms energy: -271.430657
where:
bonds (distance) C4'-P energy: -53.929
bonds (distance) P-C4' energy: -53.520
flat angles C4'-P-C4' energy: -60.150
flat angles P-C4'-P energy: -47.667
tors. eta vs tors. theta energy: -56.164
Dist. restrs. and SS energy: 4.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -859.037081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.037081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.448203 (E_RNA)
where:
Base-Base interactions energy: -599.965
where: short stacking energy: -242.505
Base-Backbone interact. energy: 0.667
local terms energy: -268.149551
where:
bonds (distance) C4'-P energy: -66.079
bonds (distance) P-C4' energy: -40.174
flat angles C4'-P-C4' energy: -59.276
flat angles P-C4'-P energy: -40.813
tors. eta vs tors. theta energy: -61.807
Dist. restrs. and SS energy: 8.411 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -802.272956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.272956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.418141 (E_RNA)
where:
Base-Base interactions energy: -569.014
where: short stacking energy: -229.559
Base-Backbone interact. energy: -0.323
local terms energy: -247.080620
where:
bonds (distance) C4'-P energy: -46.154
bonds (distance) P-C4' energy: -43.824
flat angles C4'-P-C4' energy: -65.796
flat angles P-C4'-P energy: -35.577
tors. eta vs tors. theta energy: -55.730
Dist. restrs. and SS energy: 14.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -1216.782570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.782570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.323035 (E_RNA)
where:
Base-Base interactions energy: -863.520
where: short stacking energy: -357.440
Base-Backbone interact. energy: -2.187
local terms energy: -354.616301
where:
bonds (distance) C4'-P energy: -67.765
bonds (distance) P-C4' energy: -77.379
flat angles C4'-P-C4' energy: -67.479
flat angles P-C4'-P energy: -52.496
tors. eta vs tors. theta energy: -89.497
Dist. restrs. and SS energy: 3.540 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -1196.585125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.585125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.119704 (E_RNA)
where:
Base-Base interactions energy: -835.917
where: short stacking energy: -361.054
Base-Backbone interact. energy: -0.218
local terms energy: -363.985166
where:
bonds (distance) C4'-P energy: -54.603
bonds (distance) P-C4' energy: -67.221
flat angles C4'-P-C4' energy: -77.503
flat angles P-C4'-P energy: -57.199
tors. eta vs tors. theta energy: -107.459
Dist. restrs. and SS energy: 3.535 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -1145.596733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.596733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.549225 (E_RNA)
where:
Base-Base interactions energy: -814.351
where: short stacking energy: -322.943
Base-Backbone interact. energy: -1.870
local terms energy: -333.328675
where:
bonds (distance) C4'-P energy: -70.475
bonds (distance) P-C4' energy: -62.434
flat angles C4'-P-C4' energy: -63.285
flat angles P-C4'-P energy: -47.303
tors. eta vs tors. theta energy: -89.831
Dist. restrs. and SS energy: 3.952 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -1084.788299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.788299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.175492 (E_RNA)
where:
Base-Base interactions energy: -755.981
where: short stacking energy: -299.695
Base-Backbone interact. energy: -0.791
local terms energy: -332.403881
where:
bonds (distance) C4'-P energy: -67.159
bonds (distance) P-C4' energy: -62.661
flat angles C4'-P-C4' energy: -76.397
flat angles P-C4'-P energy: -43.996
tors. eta vs tors. theta energy: -82.191
Dist. restrs. and SS energy: 4.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -1045.358927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.358927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.898013 (E_RNA)
where:
Base-Base interactions energy: -718.096
where: short stacking energy: -305.347
Base-Backbone interact. energy: -2.251
local terms energy: -328.550476
where:
bonds (distance) C4'-P energy: -63.980
bonds (distance) P-C4' energy: -67.181
flat angles C4'-P-C4' energy: -67.130
flat angles P-C4'-P energy: -48.092
tors. eta vs tors. theta energy: -82.168
Dist. restrs. and SS energy: 3.539 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -940.004387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.004387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.468586 (E_RNA)
where:
Base-Base interactions energy: -642.349
where: short stacking energy: -263.158
Base-Backbone interact. energy: -1.162
local terms energy: -304.956950
where:
bonds (distance) C4'-P energy: -61.646
bonds (distance) P-C4' energy: -63.736
flat angles C4'-P-C4' energy: -73.125
flat angles P-C4'-P energy: -40.342
tors. eta vs tors. theta energy: -66.108
Dist. restrs. and SS energy: 8.464 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -970.359756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.359756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.743568 (E_RNA)
where:
Base-Base interactions energy: -681.682
where: short stacking energy: -271.680
Base-Backbone interact. energy: 0.771
local terms energy: -292.832687
where:
bonds (distance) C4'-P energy: -63.050
bonds (distance) P-C4' energy: -58.997
flat angles C4'-P-C4' energy: -51.403
flat angles P-C4'-P energy: -48.354
tors. eta vs tors. theta energy: -71.029
Dist. restrs. and SS energy: 3.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -893.499689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.499689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.241684 (E_RNA)
where:
Base-Base interactions energy: -632.021
where: short stacking energy: -245.805
Base-Backbone interact. energy: 2.307
local terms energy: -269.528152
where:
bonds (distance) C4'-P energy: -49.729
bonds (distance) P-C4' energy: -51.481
flat angles C4'-P-C4' energy: -67.126
flat angles P-C4'-P energy: -32.016
tors. eta vs tors. theta energy: -69.177
Dist. restrs. and SS energy: 5.742 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -889.235225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.235225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.946642 (E_RNA)
where:
Base-Base interactions energy: -608.472
where: short stacking energy: -244.903
Base-Backbone interact. energy: -1.837
local terms energy: -286.638131
where:
bonds (distance) C4'-P energy: -57.500
bonds (distance) P-C4' energy: -54.974
flat angles C4'-P-C4' energy: -68.945
flat angles P-C4'-P energy: -39.135
tors. eta vs tors. theta energy: -66.085
Dist. restrs. and SS energy: 7.711 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -801.593017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.593017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.573352 (E_RNA)
where:
Base-Base interactions energy: -567.246
where: short stacking energy: -219.753
Base-Backbone interact. energy: 0.180
local terms energy: -247.507135
where:
bonds (distance) C4'-P energy: -55.371
bonds (distance) P-C4' energy: -52.475
flat angles C4'-P-C4' energy: -50.367
flat angles P-C4'-P energy: -37.835
tors. eta vs tors. theta energy: -51.459
Dist. restrs. and SS energy: 12.980 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -1218.137733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.137733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.918011 (E_RNA)
where:
Base-Base interactions energy: -850.597
where: short stacking energy: -334.700
Base-Backbone interact. energy: -2.656
local terms energy: -367.665186
where:
bonds (distance) C4'-P energy: -67.671
bonds (distance) P-C4' energy: -65.937
flat angles C4'-P-C4' energy: -81.546
flat angles P-C4'-P energy: -51.273
tors. eta vs tors. theta energy: -101.237
Dist. restrs. and SS energy: 2.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -1151.122585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.122585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.859213 (E_RNA)
where:
Base-Base interactions energy: -791.733
where: short stacking energy: -329.832
Base-Backbone interact. energy: -4.258
local terms energy: -358.868323
where:
bonds (distance) C4'-P energy: -63.102
bonds (distance) P-C4' energy: -73.711
flat angles C4'-P-C4' energy: -76.019
flat angles P-C4'-P energy: -56.739
tors. eta vs tors. theta energy: -89.298
Dist. restrs. and SS energy: 3.737 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -1168.436546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.436546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.820118 (E_RNA)
where:
Base-Base interactions energy: -817.651
where: short stacking energy: -345.074
Base-Backbone interact. energy: -0.146
local terms energy: -354.023270
where:
bonds (distance) C4'-P energy: -59.139
bonds (distance) P-C4' energy: -62.106
flat angles C4'-P-C4' energy: -75.523
flat angles P-C4'-P energy: -55.977
tors. eta vs tors. theta energy: -101.279
Dist. restrs. and SS energy: 3.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -1092.184488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.184488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.489292 (E_RNA)
where:
Base-Base interactions energy: -752.926
where: short stacking energy: -301.868
Base-Backbone interact. energy: -2.416
local terms energy: -341.146679
where:
bonds (distance) C4'-P energy: -73.695
bonds (distance) P-C4' energy: -64.212
flat angles C4'-P-C4' energy: -74.626
flat angles P-C4'-P energy: -42.692
tors. eta vs tors. theta energy: -85.922
Dist. restrs. and SS energy: 4.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -1033.345907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.345907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.915868 (E_RNA)
where:
Base-Base interactions energy: -748.394
where: short stacking energy: -295.629
Base-Backbone interact. energy: -0.755
local terms energy: -287.766795
where:
bonds (distance) C4'-P energy: -44.883
bonds (distance) P-C4' energy: -64.812
flat angles C4'-P-C4' energy: -58.493
flat angles P-C4'-P energy: -45.924
tors. eta vs tors. theta energy: -73.656
Dist. restrs. and SS energy: 3.570 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -966.693843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.693843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.846416 (E_RNA)
where:
Base-Base interactions energy: -685.035
where: short stacking energy: -262.513
Base-Backbone interact. energy: -1.576
local terms energy: -284.235471
where:
bonds (distance) C4'-P energy: -59.379
bonds (distance) P-C4' energy: -59.331
flat angles C4'-P-C4' energy: -56.106
flat angles P-C4'-P energy: -33.808
tors. eta vs tors. theta energy: -75.612
Dist. restrs. and SS energy: 4.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -979.210337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.210337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.966279 (E_RNA)
where:
Base-Base interactions energy: -688.362
where: short stacking energy: -281.772
Base-Backbone interact. energy: 6.842
local terms energy: -305.446985
where:
bonds (distance) C4'-P energy: -60.933
bonds (distance) P-C4' energy: -52.122
flat angles C4'-P-C4' energy: -70.649
flat angles P-C4'-P energy: -43.730
tors. eta vs tors. theta energy: -78.014
Dist. restrs. and SS energy: 7.756 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -912.295938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.295938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.485161 (E_RNA)
where:
Base-Base interactions energy: -645.641
where: short stacking energy: -246.572
Base-Backbone interact. energy: -2.926
local terms energy: -272.917544
where:
bonds (distance) C4'-P energy: -59.975
bonds (distance) P-C4' energy: -53.140
flat angles C4'-P-C4' energy: -64.139
flat angles P-C4'-P energy: -34.688
tors. eta vs tors. theta energy: -60.976
Dist. restrs. and SS energy: 9.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -821.190791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.190791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.306702 (E_RNA)
where:
Base-Base interactions energy: -577.886
where: short stacking energy: -222.423
Base-Backbone interact. energy: 3.481
local terms energy: -260.902464
where:
bonds (distance) C4'-P energy: -66.931
bonds (distance) P-C4' energy: -54.213
flat angles C4'-P-C4' energy: -53.622
flat angles P-C4'-P energy: -43.833
tors. eta vs tors. theta energy: -42.304
Dist. restrs. and SS energy: 14.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -788.180786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.180786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.540465 (E_RNA)
where:
Base-Base interactions energy: -558.548
where: short stacking energy: -212.302
Base-Backbone interact. energy: -0.983
local terms energy: -236.009485
where:
bonds (distance) C4'-P energy: -56.466
bonds (distance) P-C4' energy: -44.494
flat angles C4'-P-C4' energy: -54.260
flat angles P-C4'-P energy: -43.317
tors. eta vs tors. theta energy: -37.472
Dist. restrs. and SS energy: 7.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -1202.116623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.116623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.471270 (E_RNA)
where:
Base-Base interactions energy: -832.656
where: short stacking energy: -348.171
Base-Backbone interact. energy: -0.867
local terms energy: -370.947856
where:
bonds (distance) C4'-P energy: -78.070
bonds (distance) P-C4' energy: -75.270
flat angles C4'-P-C4' energy: -69.262
flat angles P-C4'-P energy: -52.283
tors. eta vs tors. theta energy: -96.064
Dist. restrs. and SS energy: 2.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -1140.701411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.701411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.642447 (E_RNA)
where:
Base-Base interactions energy: -792.610
where: short stacking energy: -321.998
Base-Backbone interact. energy: -1.453
local terms energy: -349.579740
where:
bonds (distance) C4'-P energy: -63.812
bonds (distance) P-C4' energy: -71.315
flat angles C4'-P-C4' energy: -78.001
flat angles P-C4'-P energy: -50.730
tors. eta vs tors. theta energy: -85.722
Dist. restrs. and SS energy: 2.941 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -1168.978968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.978968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.713349 (E_RNA)
where:
Base-Base interactions energy: -814.800
where: short stacking energy: -333.678
Base-Backbone interact. energy: -0.321
local terms energy: -357.592916
where:
bonds (distance) C4'-P energy: -57.060
bonds (distance) P-C4' energy: -76.221
flat angles C4'-P-C4' energy: -74.751
flat angles P-C4'-P energy: -49.357
tors. eta vs tors. theta energy: -100.204
Dist. restrs. and SS energy: 3.734 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -1124.937830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.937830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.898089 (E_RNA)
where:
Base-Base interactions energy: -792.043
where: short stacking energy: -328.782
Base-Backbone interact. energy: -2.857
local terms energy: -332.997998
where:
bonds (distance) C4'-P energy: -61.257
bonds (distance) P-C4' energy: -62.174
flat angles C4'-P-C4' energy: -66.446
flat angles P-C4'-P energy: -45.955
tors. eta vs tors. theta energy: -97.166
Dist. restrs. and SS energy: 2.960 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -1039.877992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.877992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.236595 (E_RNA)
where:
Base-Base interactions energy: -715.919
where: short stacking energy: -281.292
Base-Backbone interact. energy: -2.589
local terms energy: -324.728304
where:
bonds (distance) C4'-P energy: -63.652
bonds (distance) P-C4' energy: -70.126
flat angles C4'-P-C4' energy: -74.733
flat angles P-C4'-P energy: -45.647
tors. eta vs tors. theta energy: -70.569
Dist. restrs. and SS energy: 3.359 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -970.574876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.574876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.919729 (E_RNA)
where:
Base-Base interactions energy: -690.847
where: short stacking energy: -268.525
Base-Backbone interact. energy: 1.468
local terms energy: -284.541045
where:
bonds (distance) C4'-P energy: -47.756
bonds (distance) P-C4' energy: -64.058
flat angles C4'-P-C4' energy: -64.950
flat angles P-C4'-P energy: -47.680
tors. eta vs tors. theta energy: -60.097
Dist. restrs. and SS energy: 3.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -951.522089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.522089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.776799 (E_RNA)
where:
Base-Base interactions energy: -683.122
where: short stacking energy: -259.554
Base-Backbone interact. energy: -1.288
local terms energy: -273.367546
where:
bonds (distance) C4'-P energy: -46.612
bonds (distance) P-C4' energy: -43.993
flat angles C4'-P-C4' energy: -71.540
flat angles P-C4'-P energy: -38.767
tors. eta vs tors. theta energy: -72.455
Dist. restrs. and SS energy: 6.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -924.972621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.972621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.666167 (E_RNA)
where:
Base-Base interactions energy: -652.754
where: short stacking energy: -249.451
Base-Backbone interact. energy: 2.502
local terms energy: -283.413771
where:
bonds (distance) C4'-P energy: -70.983
bonds (distance) P-C4' energy: -59.980
flat angles C4'-P-C4' energy: -58.339
flat angles P-C4'-P energy: -50.406
tors. eta vs tors. theta energy: -43.705
Dist. restrs. and SS energy: 8.694 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -840.449884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.449884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.003639 (E_RNA)
where:
Base-Base interactions energy: -600.556
where: short stacking energy: -237.248
Base-Backbone interact. energy: -0.060
local terms energy: -252.387447
where:
bonds (distance) C4'-P energy: -44.610
bonds (distance) P-C4' energy: -63.938
flat angles C4'-P-C4' energy: -54.842
flat angles P-C4'-P energy: -35.314
tors. eta vs tors. theta energy: -53.683
Dist. restrs. and SS energy: 12.554 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -793.128311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.128311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.357204 (E_RNA)
where:
Base-Base interactions energy: -578.639
where: short stacking energy: -228.712
Base-Backbone interact. energy: -0.778
local terms energy: -226.939448
where:
bonds (distance) C4'-P energy: -61.671
bonds (distance) P-C4' energy: -42.557
flat angles C4'-P-C4' energy: -48.532
flat angles P-C4'-P energy: -33.815
tors. eta vs tors. theta energy: -40.364
Dist. restrs. and SS energy: 13.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -1208.635557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.635557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.263739 (E_RNA)
where:
Base-Base interactions energy: -856.947
where: short stacking energy: -351.139
Base-Backbone interact. energy: 3.704
local terms energy: -359.019946
where:
bonds (distance) C4'-P energy: -63.378
bonds (distance) P-C4' energy: -67.297
flat angles C4'-P-C4' energy: -74.429
flat angles P-C4'-P energy: -55.093
tors. eta vs tors. theta energy: -98.823
Dist. restrs. and SS energy: 3.628 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -1148.263270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.263270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.889828 (E_RNA)
where:
Base-Base interactions energy: -810.008
where: short stacking energy: -308.574
Base-Backbone interact. energy: -1.028
local terms energy: -339.853538
where:
bonds (distance) C4'-P energy: -63.651
bonds (distance) P-C4' energy: -69.517
flat angles C4'-P-C4' energy: -74.556
flat angles P-C4'-P energy: -45.703
tors. eta vs tors. theta energy: -86.427
Dist. restrs. and SS energy: 2.627 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -1119.564990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.564990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.275994 (E_RNA)
where:
Base-Base interactions energy: -786.575
where: short stacking energy: -329.486
Base-Backbone interact. energy: -0.314
local terms energy: -336.387391
where:
bonds (distance) C4'-P energy: -63.924
bonds (distance) P-C4' energy: -64.683
flat angles C4'-P-C4' energy: -72.559
flat angles P-C4'-P energy: -48.926
tors. eta vs tors. theta energy: -86.295
Dist. restrs. and SS energy: 3.711 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -1124.023604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.023604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.925541 (E_RNA)
where:
Base-Base interactions energy: -779.795
where: short stacking energy: -312.479
Base-Backbone interact. energy: -3.449
local terms energy: -343.681103
where:
bonds (distance) C4'-P energy: -66.739
bonds (distance) P-C4' energy: -65.155
flat angles C4'-P-C4' energy: -69.365
flat angles P-C4'-P energy: -57.949
tors. eta vs tors. theta energy: -84.472
Dist. restrs. and SS energy: 2.902 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -994.978823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.978823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.468145 (E_RNA)
where:
Base-Base interactions energy: -699.508
where: short stacking energy: -271.929
Base-Backbone interact. energy: -1.131
local terms energy: -298.828480
where:
bonds (distance) C4'-P energy: -51.415
bonds (distance) P-C4' energy: -65.588
flat angles C4'-P-C4' energy: -67.425
flat angles P-C4'-P energy: -50.752
tors. eta vs tors. theta energy: -63.648
Dist. restrs. and SS energy: 4.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -992.809758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.809758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.546263 (E_RNA)
where:
Base-Base interactions energy: -692.290
where: short stacking energy: -281.226
Base-Backbone interact. energy: 2.920
local terms energy: -308.177188
where:
bonds (distance) C4'-P energy: -58.617
bonds (distance) P-C4' energy: -60.755
flat angles C4'-P-C4' energy: -73.286
flat angles P-C4'-P energy: -44.610
tors. eta vs tors. theta energy: -70.909
Dist. restrs. and SS energy: 4.737 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -957.719331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.719331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.086152 (E_RNA)
where:
Base-Base interactions energy: -686.809
where: short stacking energy: -262.804
Base-Backbone interact. energy: 4.602
local terms energy: -283.879687
where:
bonds (distance) C4'-P energy: -59.147
bonds (distance) P-C4' energy: -49.475
flat angles C4'-P-C4' energy: -64.234
flat angles P-C4'-P energy: -54.654
tors. eta vs tors. theta energy: -56.370
Dist. restrs. and SS energy: 8.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -934.685730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.685730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.400577 (E_RNA)
where:
Base-Base interactions energy: -650.856
where: short stacking energy: -247.607
Base-Backbone interact. energy: -1.278
local terms energy: -290.266501
where:
bonds (distance) C4'-P energy: -56.618
bonds (distance) P-C4' energy: -59.337
flat angles C4'-P-C4' energy: -65.957
flat angles P-C4'-P energy: -48.402
tors. eta vs tors. theta energy: -59.953
Dist. restrs. and SS energy: 7.715 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -874.051309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.051309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.197744 (E_RNA)
where:
Base-Base interactions energy: -611.422
where: short stacking energy: -243.780
Base-Backbone interact. energy: 0.788
local terms energy: -279.563174
where:
bonds (distance) C4'-P energy: -63.032
bonds (distance) P-C4' energy: -46.835
flat angles C4'-P-C4' energy: -57.022
flat angles P-C4'-P energy: -43.765
tors. eta vs tors. theta energy: -68.908
Dist. restrs. and SS energy: 16.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -872.975084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.975084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.946336 (E_RNA)
where:
Base-Base interactions energy: -596.881
where: short stacking energy: -229.936
Base-Backbone interact. energy: -0.663
local terms energy: -279.402446
where:
bonds (distance) C4'-P energy: -49.579
bonds (distance) P-C4' energy: -60.693
flat angles C4'-P-C4' energy: -64.033
flat angles P-C4'-P energy: -52.083
tors. eta vs tors. theta energy: -53.014
Dist. restrs. and SS energy: 3.971 (S_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: 380
Temperature: 0.900000
Total energy: -1190.091867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.091867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.763611 (E_RNA)
where:
Base-Base interactions energy: -808.831
where: short stacking energy: -325.083
Base-Backbone interact. energy: -2.804
local terms energy: -381.129117
where:
bonds (distance) C4'-P energy: -77.897
bonds (distance) P-C4' energy: -66.882
flat angles C4'-P-C4' energy: -81.058
flat angles P-C4'-P energy: -56.389
tors. eta vs tors. theta energy: -98.904
Dist. restrs. and SS energy: 2.672 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -1146.866105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.866105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.688684 (E_RNA)
where:
Base-Base interactions energy: -810.329
where: short stacking energy: -320.578
Base-Backbone interact. energy: 0.033
local terms energy: -339.392983
where:
bonds (distance) C4'-P energy: -60.009
bonds (distance) P-C4' energy: -62.719
flat angles C4'-P-C4' energy: -75.020
flat angles P-C4'-P energy: -51.077
tors. eta vs tors. theta energy: -90.568
Dist. restrs. and SS energy: 2.823 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -1084.954313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.954313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.239957 (E_RNA)
where:
Base-Base interactions energy: -779.105
where: short stacking energy: -325.351
Base-Backbone interact. energy: 5.486
local terms energy: -314.621399
where:
bonds (distance) C4'-P energy: -49.807
bonds (distance) P-C4' energy: -67.058
flat angles C4'-P-C4' energy: -71.614
flat angles P-C4'-P energy: -47.167
tors. eta vs tors. theta energy: -78.976
Dist. restrs. and SS energy: 3.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -1084.641399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.641399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.458791 (E_RNA)
where:
Base-Base interactions energy: -760.171
where: short stacking energy: -333.261
Base-Backbone interact. energy: -0.454
local terms energy: -327.834436
where:
bonds (distance) C4'-P energy: -62.568
bonds (distance) P-C4' energy: -63.879
flat angles C4'-P-C4' energy: -57.666
flat angles P-C4'-P energy: -59.514
tors. eta vs tors. theta energy: -84.207
Dist. restrs. and SS energy: 3.817 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -1041.852825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.852825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.078570 (E_RNA)
where:
Base-Base interactions energy: -756.513
where: short stacking energy: -302.822
Base-Backbone interact. energy: -1.262
local terms energy: -288.304158
where:
bonds (distance) C4'-P energy: -54.821
bonds (distance) P-C4' energy: -46.889
flat angles C4'-P-C4' energy: -74.318
flat angles P-C4'-P energy: -37.136
tors. eta vs tors. theta energy: -75.141
Dist. restrs. and SS energy: 4.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -1010.266372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.266372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.047628 (E_RNA)
where:
Base-Base interactions energy: -721.763
where: short stacking energy: -284.700
Base-Backbone interact. energy: 0.753
local terms energy: -295.037636
where:
bonds (distance) C4'-P energy: -45.264
bonds (distance) P-C4' energy: -64.288
flat angles C4'-P-C4' energy: -65.181
flat angles P-C4'-P energy: -44.430
tors. eta vs tors. theta energy: -75.875
Dist. restrs. and SS energy: 5.781 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -990.218495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.218495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.355877 (E_RNA)
where:
Base-Base interactions energy: -710.661
where: short stacking energy: -292.256
Base-Backbone interact. energy: -1.029
local terms energy: -288.665919
where:
bonds (distance) C4'-P energy: -47.943
bonds (distance) P-C4' energy: -49.824
flat angles C4'-P-C4' energy: -66.200
flat angles P-C4'-P energy: -45.792
tors. eta vs tors. theta energy: -78.906
Dist. restrs. and SS energy: 10.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -894.695472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.695472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.528661 (E_RNA)
where:
Base-Base interactions energy: -634.511
where: short stacking energy: -263.423
Base-Backbone interact. energy: -0.867
local terms energy: -269.149893
where:
bonds (distance) C4'-P energy: -43.095
bonds (distance) P-C4' energy: -61.348
flat angles C4'-P-C4' energy: -51.998
flat angles P-C4'-P energy: -40.325
tors. eta vs tors. theta energy: -72.384
Dist. restrs. and SS energy: 9.833 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -890.018371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.018371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.563861 (E_RNA)
where:
Base-Base interactions energy: -624.530
where: short stacking energy: -236.458
Base-Backbone interact. energy: -1.610
local terms energy: -275.423580
where:
bonds (distance) C4'-P energy: -54.225
bonds (distance) P-C4' energy: -65.174
flat angles C4'-P-C4' energy: -56.473
flat angles P-C4'-P energy: -34.706
tors. eta vs tors. theta energy: -64.845
Dist. restrs. and SS energy: 11.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -796.957827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.957827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.487554 (E_RNA)
where:
Base-Base interactions energy: -565.968
where: short stacking energy: -208.122
Base-Backbone interact. energy: -0.942
local terms energy: -237.577719
where:
bonds (distance) C4'-P energy: -52.515
bonds (distance) P-C4' energy: -51.379
flat angles C4'-P-C4' energy: -63.469
flat angles P-C4'-P energy: -22.393
tors. eta vs tors. theta energy: -47.822
Dist. restrs. and SS energy: 7.530 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -1195.947371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.947371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.845541 (E_RNA)
where:
Base-Base interactions energy: -848.760
where: short stacking energy: -320.560
Base-Backbone interact. energy: -1.212
local terms energy: -348.873477
where:
bonds (distance) C4'-P energy: -63.052
bonds (distance) P-C4' energy: -66.467
flat angles C4'-P-C4' energy: -77.578
flat angles P-C4'-P energy: -50.462
tors. eta vs tors. theta energy: -91.314
Dist. restrs. and SS energy: 2.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -1163.350877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.350877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.343289 (E_RNA)
where:
Base-Base interactions energy: -804.276
where: short stacking energy: -325.013
Base-Backbone interact. energy: 1.114
local terms energy: -363.181627
where:
bonds (distance) C4'-P energy: -69.562
bonds (distance) P-C4' energy: -66.119
flat angles C4'-P-C4' energy: -77.063
flat angles P-C4'-P energy: -56.548
tors. eta vs tors. theta energy: -93.890
Dist. restrs. and SS energy: 2.992 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -1098.599401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.599401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.267957 (E_RNA)
where:
Base-Base interactions energy: -779.983
where: short stacking energy: -314.715
Base-Backbone interact. energy: -1.382
local terms energy: -320.903679
where:
bonds (distance) C4'-P energy: -49.420
bonds (distance) P-C4' energy: -58.517
flat angles C4'-P-C4' energy: -77.896
flat angles P-C4'-P energy: -51.930
tors. eta vs tors. theta energy: -83.140
Dist. restrs. and SS energy: 3.669 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -1053.898545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.898545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.138249 (E_RNA)
where:
Base-Base interactions energy: -733.425
where: short stacking energy: -299.688
Base-Backbone interact. energy: -1.731
local terms energy: -325.982248
where:
bonds (distance) C4'-P energy: -51.482
bonds (distance) P-C4' energy: -61.961
flat angles C4'-P-C4' energy: -70.491
flat angles P-C4'-P energy: -49.587
tors. eta vs tors. theta energy: -92.462
Dist. restrs. and SS energy: 7.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -1037.554784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.554784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.054742 (E_RNA)
where:
Base-Base interactions energy: -729.643
where: short stacking energy: -271.287
Base-Backbone interact. energy: -2.163
local terms energy: -308.248692
where:
bonds (distance) C4'-P energy: -69.337
bonds (distance) P-C4' energy: -51.680
flat angles C4'-P-C4' energy: -68.864
flat angles P-C4'-P energy: -51.995
tors. eta vs tors. theta energy: -66.372
Dist. restrs. and SS energy: 2.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -989.299704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.299704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.463128 (E_RNA)
where:
Base-Base interactions energy: -691.395
where: short stacking energy: -284.407
Base-Backbone interact. energy: -1.496
local terms energy: -308.571896
where:
bonds (distance) C4'-P energy: -57.776
bonds (distance) P-C4' energy: -64.547
flat angles C4'-P-C4' energy: -54.689
flat angles P-C4'-P energy: -48.112
tors. eta vs tors. theta energy: -83.448
Dist. restrs. and SS energy: 12.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -952.564355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.564355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.679903 (E_RNA)
where:
Base-Base interactions energy: -661.533
where: short stacking energy: -269.318
Base-Backbone interact. energy: 2.065
local terms energy: -297.212369
where:
bonds (distance) C4'-P energy: -54.140
bonds (distance) P-C4' energy: -66.317
flat angles C4'-P-C4' energy: -58.847
flat angles P-C4'-P energy: -46.100
tors. eta vs tors. theta energy: -71.808
Dist. restrs. and SS energy: 4.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -907.541043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.541043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.634952 (E_RNA)
where:
Base-Base interactions energy: -639.296
where: short stacking energy: -252.888
Base-Backbone interact. energy: -1.968
local terms energy: -278.371245
where:
bonds (distance) C4'-P energy: -56.350
bonds (distance) P-C4' energy: -48.892
flat angles C4'-P-C4' energy: -66.294
flat angles P-C4'-P energy: -41.596
tors. eta vs tors. theta energy: -65.240
Dist. restrs. and SS energy: 12.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -883.826078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.826078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.249808 (E_RNA)
where:
Base-Base interactions energy: -603.727
where: short stacking energy: -229.760
Base-Backbone interact. energy: -3.204
local terms energy: -281.318373
where:
bonds (distance) C4'-P energy: -46.932
bonds (distance) P-C4' energy: -73.118
flat angles C4'-P-C4' energy: -57.908
flat angles P-C4'-P energy: -44.988
tors. eta vs tors. theta energy: -58.372
Dist. restrs. and SS energy: 4.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -816.717903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.717903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.538453 (E_RNA)
where:
Base-Base interactions energy: -565.803
where: short stacking energy: -213.430
Base-Backbone interact. energy: 2.541
local terms energy: -264.276956
where:
bonds (distance) C4'-P energy: -55.461
bonds (distance) P-C4' energy: -57.022
flat angles C4'-P-C4' energy: -62.268
flat angles P-C4'-P energy: -35.150
tors. eta vs tors. theta energy: -54.375
Dist. restrs. and SS energy: 10.821 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -1204.107541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.107541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.152874 (E_RNA)
where:
Base-Base interactions energy: -856.395
where: short stacking energy: -340.801
Base-Backbone interact. energy: -1.469
local terms energy: -349.289002
where:
bonds (distance) C4'-P energy: -59.856
bonds (distance) P-C4' energy: -72.028
flat angles C4'-P-C4' energy: -80.136
flat angles P-C4'-P energy: -49.188
tors. eta vs tors. theta energy: -88.081
Dist. restrs. and SS energy: 3.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -1176.697373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.697373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.818537 (E_RNA)
where:
Base-Base interactions energy: -826.397
where: short stacking energy: -332.288
Base-Backbone interact. energy: -2.242
local terms energy: -351.180022
where:
bonds (distance) C4'-P energy: -63.562
bonds (distance) P-C4' energy: -66.500
flat angles C4'-P-C4' energy: -72.897
flat angles P-C4'-P energy: -63.263
tors. eta vs tors. theta energy: -84.958
Dist. restrs. and SS energy: 3.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -1130.944671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.944671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.682306 (E_RNA)
where:
Base-Base interactions energy: -773.061
where: short stacking energy: -322.457
Base-Backbone interact. energy: -2.454
local terms energy: -358.167424
where:
bonds (distance) C4'-P energy: -67.873
bonds (distance) P-C4' energy: -70.836
flat angles C4'-P-C4' energy: -73.685
flat angles P-C4'-P energy: -53.387
tors. eta vs tors. theta energy: -92.386
Dist. restrs. and SS energy: 2.738 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -1048.722602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.722602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.282562 (E_RNA)
where:
Base-Base interactions energy: -721.169
where: short stacking energy: -300.986
Base-Backbone interact. energy: -1.317
local terms energy: -335.796671
where:
bonds (distance) C4'-P energy: -66.502
bonds (distance) P-C4' energy: -55.096
flat angles C4'-P-C4' energy: -71.916
flat angles P-C4'-P energy: -58.611
tors. eta vs tors. theta energy: -83.672
Dist. restrs. and SS energy: 9.560 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -1066.126938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.126938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.446981 (E_RNA)
where:
Base-Base interactions energy: -755.644
where: short stacking energy: -307.335
Base-Backbone interact. energy: -0.470
local terms energy: -313.333654
where:
bonds (distance) C4'-P energy: -56.911
bonds (distance) P-C4' energy: -71.168
flat angles C4'-P-C4' energy: -58.503
flat angles P-C4'-P energy: -46.176
tors. eta vs tors. theta energy: -80.576
Dist. restrs. and SS energy: 3.320 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -984.638212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.638212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.864784 (E_RNA)
where:
Base-Base interactions energy: -674.955
where: short stacking energy: -279.957
Base-Backbone interact. energy: 0.372
local terms energy: -319.281652
where:
bonds (distance) C4'-P energy: -66.380
bonds (distance) P-C4' energy: -66.699
flat angles C4'-P-C4' energy: -64.598
flat angles P-C4'-P energy: -47.751
tors. eta vs tors. theta energy: -73.854
Dist. restrs. and SS energy: 9.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -934.534348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.534348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.486484 (E_RNA)
where:
Base-Base interactions energy: -656.673
where: short stacking energy: -256.855
Base-Backbone interact. energy: 0.506
local terms energy: -291.320049
where:
bonds (distance) C4'-P energy: -59.508
bonds (distance) P-C4' energy: -61.702
flat angles C4'-P-C4' energy: -65.928
flat angles P-C4'-P energy: -39.719
tors. eta vs tors. theta energy: -64.463
Dist. restrs. and SS energy: 12.952 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -930.964807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.964807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.727648 (E_RNA)
where:
Base-Base interactions energy: -661.460
where: short stacking energy: -262.794
Base-Backbone interact. energy: -0.393
local terms energy: -272.874790
where:
bonds (distance) C4'-P energy: -56.835
bonds (distance) P-C4' energy: -48.299
flat angles C4'-P-C4' energy: -64.171
flat angles P-C4'-P energy: -35.572
tors. eta vs tors. theta energy: -67.997
Dist. restrs. and SS energy: 3.763 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -865.597247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.597247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.444126 (E_RNA)
where:
Base-Base interactions energy: -610.874
where: short stacking energy: -242.864
Base-Backbone interact. energy: -0.869
local terms energy: -268.701666
where:
bonds (distance) C4'-P energy: -56.575
bonds (distance) P-C4' energy: -58.096
flat angles C4'-P-C4' energy: -62.290
flat angles P-C4'-P energy: -36.399
tors. eta vs tors. theta energy: -55.341
Dist. restrs. and SS energy: 14.847 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -825.791267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.791267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.066343 (E_RNA)
where:
Base-Base interactions energy: -573.457
where: short stacking energy: -227.750
Base-Backbone interact. energy: -0.265
local terms energy: -261.343891
where:
bonds (distance) C4'-P energy: -57.628
bonds (distance) P-C4' energy: -42.483
flat angles C4'-P-C4' energy: -55.032
flat angles P-C4'-P energy: -40.000
tors. eta vs tors. theta energy: -66.201
Dist. restrs. and SS energy: 9.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -1210.134972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.134972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.243650 (E_RNA)
where:
Base-Base interactions energy: -853.513
where: short stacking energy: -341.035
Base-Backbone interact. energy: -4.557
local terms energy: -357.172946
where:
bonds (distance) C4'-P energy: -64.311
bonds (distance) P-C4' energy: -72.659
flat angles C4'-P-C4' energy: -74.089
flat angles P-C4'-P energy: -52.755
tors. eta vs tors. theta energy: -93.359
Dist. restrs. and SS energy: 5.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -1185.028158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.028158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.853368 (E_RNA)
where:
Base-Base interactions energy: -823.901
where: short stacking energy: -332.374
Base-Backbone interact. energy: -3.375
local terms energy: -362.577921
where:
bonds (distance) C4'-P energy: -64.361
bonds (distance) P-C4' energy: -73.190
flat angles C4'-P-C4' energy: -76.229
flat angles P-C4'-P energy: -55.362
tors. eta vs tors. theta energy: -93.435
Dist. restrs. and SS energy: 4.825 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -1157.055577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.055577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.052347 (E_RNA)
where:
Base-Base interactions energy: -809.370
where: short stacking energy: -333.697
Base-Backbone interact. energy: -2.286
local terms energy: -348.397105
where:
bonds (distance) C4'-P energy: -58.300
bonds (distance) P-C4' energy: -74.602
flat angles C4'-P-C4' energy: -67.134
flat angles P-C4'-P energy: -53.114
tors. eta vs tors. theta energy: -95.247
Dist. restrs. and SS energy: 2.997 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -1117.204324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.204324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.895907 (E_RNA)
where:
Base-Base interactions energy: -785.922
where: short stacking energy: -316.908
Base-Backbone interact. energy: -2.605
local terms energy: -332.368870
where:
bonds (distance) C4'-P energy: -69.333
bonds (distance) P-C4' energy: -65.824
flat angles C4'-P-C4' energy: -67.019
flat angles P-C4'-P energy: -44.233
tors. eta vs tors. theta energy: -85.960
Dist. restrs. and SS energy: 3.692 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -1011.485759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.485759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.750478 (E_RNA)
where:
Base-Base interactions energy: -706.222
where: short stacking energy: -292.546
Base-Backbone interact. energy: -0.986
local terms energy: -308.542429
where:
bonds (distance) C4'-P energy: -57.494
bonds (distance) P-C4' energy: -62.793
flat angles C4'-P-C4' energy: -64.568
flat angles P-C4'-P energy: -47.081
tors. eta vs tors. theta energy: -76.606
Dist. restrs. and SS energy: 4.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -992.980900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.980900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.048198 (E_RNA)
where:
Base-Base interactions energy: -697.961
where: short stacking energy: -287.894
Base-Backbone interact. energy: -0.183
local terms energy: -305.904397
where:
bonds (distance) C4'-P energy: -54.468
bonds (distance) P-C4' energy: -62.744
flat angles C4'-P-C4' energy: -63.766
flat angles P-C4'-P energy: -52.053
tors. eta vs tors. theta energy: -72.874
Dist. restrs. and SS energy: 11.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -963.200590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.200590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.407530 (E_RNA)
where:
Base-Base interactions energy: -678.743
where: short stacking energy: -286.195
Base-Backbone interact. energy: 1.722
local terms energy: -297.386237
where:
bonds (distance) C4'-P energy: -52.882
bonds (distance) P-C4' energy: -70.502
flat angles C4'-P-C4' energy: -60.513
flat angles P-C4'-P energy: -43.968
tors. eta vs tors. theta energy: -69.522
Dist. restrs. and SS energy: 11.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -887.000254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.000254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.141327 (E_RNA)
where:
Base-Base interactions energy: -609.683
where: short stacking energy: -230.850
Base-Backbone interact. energy: -0.412
local terms energy: -282.045897
where:
bonds (distance) C4'-P energy: -57.410
bonds (distance) P-C4' energy: -58.411
flat angles C4'-P-C4' energy: -70.157
flat angles P-C4'-P energy: -43.426
tors. eta vs tors. theta energy: -52.642
Dist. restrs. and SS energy: 5.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -876.598489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.598489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.199548 (E_RNA)
where:
Base-Base interactions energy: -631.629
where: short stacking energy: -245.536
Base-Backbone interact. energy: -3.443
local terms energy: -250.128257
where:
bonds (distance) C4'-P energy: -51.065
bonds (distance) P-C4' energy: -61.213
flat angles C4'-P-C4' energy: -47.845
flat angles P-C4'-P energy: -42.495
tors. eta vs tors. theta energy: -47.510
Dist. restrs. and SS energy: 8.601 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -808.477429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.477429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.717694 (E_RNA)
where:
Base-Base interactions energy: -560.665
where: short stacking energy: -222.984
Base-Backbone interact. energy: -0.762
local terms energy: -262.290763
where:
bonds (distance) C4'-P energy: -48.772
bonds (distance) P-C4' energy: -55.516
flat angles C4'-P-C4' energy: -64.940
flat angles P-C4'-P energy: -36.727
tors. eta vs tors. theta energy: -56.336
Dist. restrs. and SS energy: 15.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -1212.744982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.744982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.045302 (E_RNA)
where:
Base-Base interactions energy: -846.216
where: short stacking energy: -335.506
Base-Backbone interact. energy: -1.285
local terms energy: -368.544728
where:
bonds (distance) C4'-P energy: -68.787
bonds (distance) P-C4' energy: -68.354
flat angles C4'-P-C4' energy: -79.159
flat angles P-C4'-P energy: -57.675
tors. eta vs tors. theta energy: -94.570
Dist. restrs. and SS energy: 3.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -1195.340036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.340036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.520354 (E_RNA)
where:
Base-Base interactions energy: -828.640
where: short stacking energy: -357.037
Base-Backbone interact. energy: -3.653
local terms energy: -366.227704
where:
bonds (distance) C4'-P energy: -70.080
bonds (distance) P-C4' energy: -67.149
flat angles C4'-P-C4' energy: -72.932
flat angles P-C4'-P energy: -57.761
tors. eta vs tors. theta energy: -98.306
Dist. restrs. and SS energy: 3.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -1119.122098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.122098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.607622 (E_RNA)
where:
Base-Base interactions energy: -784.074
where: short stacking energy: -334.026
Base-Backbone interact. energy: -0.014
local terms energy: -338.520188
where:
bonds (distance) C4'-P energy: -65.185
bonds (distance) P-C4' energy: -61.640
flat angles C4'-P-C4' energy: -68.563
flat angles P-C4'-P energy: -51.022
tors. eta vs tors. theta energy: -92.110
Dist. restrs. and SS energy: 3.486 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -1112.797010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.797010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.876883 (E_RNA)
where:
Base-Base interactions energy: -784.915
where: short stacking energy: -312.264
Base-Backbone interact. energy: -2.136
local terms energy: -328.825612
where:
bonds (distance) C4'-P energy: -63.087
bonds (distance) P-C4' energy: -66.521
flat angles C4'-P-C4' energy: -70.855
flat angles P-C4'-P energy: -42.673
tors. eta vs tors. theta energy: -85.689
Dist. restrs. and SS energy: 3.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -1040.083281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.083281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.374318 (E_RNA)
where:
Base-Base interactions energy: -724.478
where: short stacking energy: -295.939
Base-Backbone interact. energy: 0.431
local terms energy: -321.326600
where:
bonds (distance) C4'-P energy: -66.391
bonds (distance) P-C4' energy: -69.931
flat angles C4'-P-C4' energy: -57.507
flat angles P-C4'-P energy: -46.286
tors. eta vs tors. theta energy: -81.212
Dist. restrs. and SS energy: 5.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -996.065826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.065826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.900944 (E_RNA)
where:
Base-Base interactions energy: -696.524
where: short stacking energy: -282.705
Base-Backbone interact. energy: -2.311
local terms energy: -308.065874
where:
bonds (distance) C4'-P energy: -49.513
bonds (distance) P-C4' energy: -65.768
flat angles C4'-P-C4' energy: -71.684
flat angles P-C4'-P energy: -45.255
tors. eta vs tors. theta energy: -75.845
Dist. restrs. and SS energy: 10.835 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -892.025837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.025837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.309256 (E_RNA)
where:
Base-Base interactions energy: -633.187
where: short stacking energy: -255.096
Base-Backbone interact. energy: -0.685
local terms energy: -266.437128
where:
bonds (distance) C4'-P energy: -54.199
bonds (distance) P-C4' energy: -58.203
flat angles C4'-P-C4' energy: -64.935
flat angles P-C4'-P energy: -33.392
tors. eta vs tors. theta energy: -55.709
Dist. restrs. and SS energy: 8.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -938.677876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.677876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.360929 (E_RNA)
where:
Base-Base interactions energy: -668.844
where: short stacking energy: -280.462
Base-Backbone interact. energy: -0.477
local terms energy: -275.040179
where:
bonds (distance) C4'-P energy: -51.005
bonds (distance) P-C4' energy: -58.816
flat angles C4'-P-C4' energy: -55.559
flat angles P-C4'-P energy: -37.925
tors. eta vs tors. theta energy: -71.735
Dist. restrs. and SS energy: 5.683 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -881.362643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.362643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.263460 (E_RNA)
where:
Base-Base interactions energy: -653.930
where: short stacking energy: -254.713
Base-Backbone interact. energy: 3.917
local terms energy: -235.250227
where:
bonds (distance) C4'-P energy: -54.431
bonds (distance) P-C4' energy: -38.838
flat angles C4'-P-C4' energy: -58.202
flat angles P-C4'-P energy: -32.421
tors. eta vs tors. theta energy: -51.359
Dist. restrs. and SS energy: 3.901 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -789.277237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.277237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.540487 (E_RNA)
where:
Base-Base interactions energy: -549.857
where: short stacking energy: -218.243
Base-Backbone interact. energy: 0.089
local terms energy: -249.771915
where:
bonds (distance) C4'-P energy: -60.796
bonds (distance) P-C4' energy: -50.934
flat angles C4'-P-C4' energy: -54.462
flat angles P-C4'-P energy: -31.185
tors. eta vs tors. theta energy: -52.394
Dist. restrs. and SS energy: 10.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -1202.681355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.681355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.991052 (E_RNA)
where:
Base-Base interactions energy: -853.494
where: short stacking energy: -347.659
Base-Backbone interact. energy: -1.907
local terms energy: -350.589977
where:
bonds (distance) C4'-P energy: -69.861
bonds (distance) P-C4' energy: -67.156
flat angles C4'-P-C4' energy: -73.243
flat angles P-C4'-P energy: -46.788
tors. eta vs tors. theta energy: -93.541
Dist. restrs. and SS energy: 3.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -1193.163167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.163167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.936575 (E_RNA)
where:
Base-Base interactions energy: -854.897
where: short stacking energy: -333.956
Base-Backbone interact. energy: -4.626
local terms energy: -336.412943
where:
bonds (distance) C4'-P energy: -57.189
bonds (distance) P-C4' energy: -64.746
flat angles C4'-P-C4' energy: -73.987
flat angles P-C4'-P energy: -49.345
tors. eta vs tors. theta energy: -91.146
Dist. restrs. and SS energy: 2.773 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -1112.929610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.929610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.059518 (E_RNA)
where:
Base-Base interactions energy: -778.406
where: short stacking energy: -314.990
Base-Backbone interact. energy: -1.012
local terms energy: -337.641586
where:
bonds (distance) C4'-P energy: -64.421
bonds (distance) P-C4' energy: -68.668
flat angles C4'-P-C4' energy: -63.729
flat angles P-C4'-P energy: -48.380
tors. eta vs tors. theta energy: -92.443
Dist. restrs. and SS energy: 4.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -1141.457764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.457764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.682936 (E_RNA)
where:
Base-Base interactions energy: -800.587
where: short stacking energy: -296.006
Base-Backbone interact. energy: -1.085
local terms energy: -344.011197
where:
bonds (distance) C4'-P energy: -69.978
bonds (distance) P-C4' energy: -63.702
flat angles C4'-P-C4' energy: -72.355
flat angles P-C4'-P energy: -52.783
tors. eta vs tors. theta energy: -85.193
Dist. restrs. and SS energy: 4.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -1033.765438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.765438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.101218 (E_RNA)
where:
Base-Base interactions energy: -725.492
where: short stacking energy: -302.952
Base-Backbone interact. energy: -0.349
local terms energy: -312.259945
where:
bonds (distance) C4'-P energy: -56.256
bonds (distance) P-C4' energy: -63.080
flat angles C4'-P-C4' energy: -71.437
flat angles P-C4'-P energy: -45.796
tors. eta vs tors. theta energy: -75.691
Dist. restrs. and SS energy: 4.336 (S_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: 385
Temperature: 1.150000
Total energy: -983.838451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.838451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.897437 (E_RNA)
where:
Base-Base interactions energy: -684.498
where: short stacking energy: -284.058
Base-Backbone interact. energy: -0.861
local terms energy: -308.538657
where:
bonds (distance) C4'-P energy: -64.382
bonds (distance) P-C4' energy: -54.751
flat angles C4'-P-C4' energy: -69.199
flat angles P-C4'-P energy: -48.665
tors. eta vs tors. theta energy: -71.541
Dist. restrs. and SS energy: 10.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -911.137340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.137340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.206545 (E_RNA)
where:
Base-Base interactions energy: -639.279
where: short stacking energy: -245.914
Base-Backbone interact. energy: -3.994
local terms energy: -270.932955
where:
bonds (distance) C4'-P energy: -44.017
bonds (distance) P-C4' energy: -71.783
flat angles C4'-P-C4' energy: -63.996
flat angles P-C4'-P energy: -38.346
tors. eta vs tors. theta energy: -52.791
Dist. restrs. and SS energy: 3.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -926.217597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.217597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.310088 (E_RNA)
where:
Base-Base interactions energy: -655.603
where: short stacking energy: -249.323
Base-Backbone interact. energy: -0.635
local terms energy: -275.072231
where:
bonds (distance) C4'-P energy: -54.662
bonds (distance) P-C4' energy: -55.561
flat angles C4'-P-C4' energy: -72.336
flat angles P-C4'-P energy: -35.021
tors. eta vs tors. theta energy: -57.492
Dist. restrs. and SS energy: 5.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -877.833612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.833612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.458959 (E_RNA)
where:
Base-Base interactions energy: -626.313
where: short stacking energy: -255.225
Base-Backbone interact. energy: -1.322
local terms energy: -255.823807
where:
bonds (distance) C4'-P energy: -39.765
bonds (distance) P-C4' energy: -40.643
flat angles C4'-P-C4' energy: -73.840
flat angles P-C4'-P energy: -35.265
tors. eta vs tors. theta energy: -66.311
Dist. restrs. and SS energy: 5.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -829.865200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.865200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.414397 (E_RNA)
where:
Base-Base interactions energy: -592.776
where: short stacking energy: -223.906
Base-Backbone interact. energy: 9.405
local terms energy: -256.043220
where:
bonds (distance) C4'-P energy: -63.989
bonds (distance) P-C4' energy: -55.911
flat angles C4'-P-C4' energy: -59.340
flat angles P-C4'-P energy: -23.616
tors. eta vs tors. theta energy: -53.187
Dist. restrs. and SS energy: 9.549 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -1221.546108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.546108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.532992 (E_RNA)
where:
Base-Base interactions energy: -852.581
where: short stacking energy: -334.524
Base-Backbone interact. energy: -2.078
local terms energy: -369.874437
where:
bonds (distance) C4'-P energy: -72.163
bonds (distance) P-C4' energy: -73.716
flat angles C4'-P-C4' energy: -73.807
flat angles P-C4'-P energy: -55.203
tors. eta vs tors. theta energy: -94.986
Dist. restrs. and SS energy: 2.987 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -1181.435580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.435580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.337135 (E_RNA)
where:
Base-Base interactions energy: -834.481
where: short stacking energy: -336.279
Base-Backbone interact. energy: -0.641
local terms energy: -349.214932
where:
bonds (distance) C4'-P energy: -57.502
bonds (distance) P-C4' energy: -73.046
flat angles C4'-P-C4' energy: -73.890
flat angles P-C4'-P energy: -53.167
tors. eta vs tors. theta energy: -91.610
Dist. restrs. and SS energy: 2.902 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -1144.398110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.398110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.523594 (E_RNA)
where:
Base-Base interactions energy: -810.670
where: short stacking energy: -333.286
Base-Backbone interact. energy: -1.597
local terms energy: -335.256929
where:
bonds (distance) C4'-P energy: -51.672
bonds (distance) P-C4' energy: -62.287
flat angles C4'-P-C4' energy: -79.676
flat angles P-C4'-P energy: -44.504
tors. eta vs tors. theta energy: -97.118
Dist. restrs. and SS energy: 3.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -1079.762975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.762975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.880220 (E_RNA)
where:
Base-Base interactions energy: -744.545
where: short stacking energy: -306.015
Base-Backbone interact. energy: 0.271
local terms energy: -338.606631
where:
bonds (distance) C4'-P energy: -60.774
bonds (distance) P-C4' energy: -69.993
flat angles C4'-P-C4' energy: -77.259
flat angles P-C4'-P energy: -48.288
tors. eta vs tors. theta energy: -82.292
Dist. restrs. and SS energy: 3.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -1042.767512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.767512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.736367 (E_RNA)
where:
Base-Base interactions energy: -733.479
where: short stacking energy: -288.521
Base-Backbone interact. energy: -1.454
local terms energy: -310.803984
where:
bonds (distance) C4'-P energy: -54.240
bonds (distance) P-C4' energy: -68.508
flat angles C4'-P-C4' energy: -62.354
flat angles P-C4'-P energy: -48.010
tors. eta vs tors. theta energy: -77.692
Dist. restrs. and SS energy: 2.969 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -994.174564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.174564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.344725 (E_RNA)
where:
Base-Base interactions energy: -716.725
where: short stacking energy: -270.305
Base-Backbone interact. energy: -0.053
local terms energy: -284.565988
where:
bonds (distance) C4'-P energy: -57.545
bonds (distance) P-C4' energy: -53.418
flat angles C4'-P-C4' energy: -68.941
flat angles P-C4'-P energy: -37.485
tors. eta vs tors. theta energy: -67.178
Dist. restrs. and SS energy: 7.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -958.840573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.840573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.410661 (E_RNA)
where:
Base-Base interactions energy: -681.944
where: short stacking energy: -269.308
Base-Backbone interact. energy: 3.279
local terms energy: -284.745481
where:
bonds (distance) C4'-P energy: -62.656
bonds (distance) P-C4' energy: -56.917
flat angles C4'-P-C4' energy: -60.737
flat angles P-C4'-P energy: -41.387
tors. eta vs tors. theta energy: -63.048
Dist. restrs. and SS energy: 4.570 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -894.033896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.033896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.674042 (E_RNA)
where:
Base-Base interactions energy: -636.138
where: short stacking energy: -244.709
Base-Backbone interact. energy: -0.420
local terms energy: -262.115467
where:
bonds (distance) C4'-P energy: -56.172
bonds (distance) P-C4' energy: -55.015
flat angles C4'-P-C4' energy: -70.037
flat angles P-C4'-P energy: -28.519
tors. eta vs tors. theta energy: -52.372
Dist. restrs. and SS energy: 4.640 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -877.838620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.838620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.331539 (E_RNA)
where:
Base-Base interactions energy: -643.140
where: short stacking energy: -255.831
Base-Backbone interact. energy: 1.673
local terms energy: -250.864447
where:
bonds (distance) C4'-P energy: -45.569
bonds (distance) P-C4' energy: -39.938
flat angles C4'-P-C4' energy: -61.017
flat angles P-C4'-P energy: -42.431
tors. eta vs tors. theta energy: -61.910
Dist. restrs. and SS energy: 14.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -798.071732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.071732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.456062 (E_RNA)
where:
Base-Base interactions energy: -551.711
where: short stacking energy: -210.107
Base-Backbone interact. energy: 2.419
local terms energy: -265.163672
where:
bonds (distance) C4'-P energy: -55.352
bonds (distance) P-C4' energy: -60.233
flat angles C4'-P-C4' energy: -57.400
flat angles P-C4'-P energy: -37.722
tors. eta vs tors. theta energy: -54.457
Dist. restrs. and SS energy: 16.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -1215.911549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.911549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.393815 (E_RNA)
where:
Base-Base interactions energy: -846.236
where: short stacking energy: -343.528
Base-Backbone interact. energy: -2.217
local terms energy: -370.940757
where:
bonds (distance) C4'-P energy: -78.763
bonds (distance) P-C4' energy: -68.444
flat angles C4'-P-C4' energy: -72.663
flat angles P-C4'-P energy: -53.228
tors. eta vs tors. theta energy: -97.843
Dist. restrs. and SS energy: 3.482 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -1163.663362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.663362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.565756 (E_RNA)
where:
Base-Base interactions energy: -823.815
where: short stacking energy: -340.653
Base-Backbone interact. energy: -2.441
local terms energy: -340.310439
where:
bonds (distance) C4'-P energy: -55.709
bonds (distance) P-C4' energy: -64.602
flat angles C4'-P-C4' energy: -75.917
flat angles P-C4'-P energy: -49.617
tors. eta vs tors. theta energy: -94.465
Dist. restrs. and SS energy: 2.902 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -1153.134165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.134165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.087650 (E_RNA)
where:
Base-Base interactions energy: -808.994
where: short stacking energy: -330.452
Base-Backbone interact. energy: 2.592
local terms energy: -349.686354
where:
bonds (distance) C4'-P energy: -64.668
bonds (distance) P-C4' energy: -66.879
flat angles C4'-P-C4' energy: -71.805
flat angles P-C4'-P energy: -51.710
tors. eta vs tors. theta energy: -94.625
Dist. restrs. and SS energy: 2.953 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -1083.234349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.234349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.303443 (E_RNA)
where:
Base-Base interactions energy: -771.254
where: short stacking energy: -309.701
Base-Backbone interact. energy: -1.725
local terms energy: -313.323953
where:
bonds (distance) C4'-P energy: -54.716
bonds (distance) P-C4' energy: -54.949
flat angles C4'-P-C4' energy: -68.498
flat angles P-C4'-P energy: -52.788
tors. eta vs tors. theta energy: -82.373
Dist. restrs. and SS energy: 3.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -1054.363047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.363047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.925414 (E_RNA)
where:
Base-Base interactions energy: -732.642
where: short stacking energy: -308.745
Base-Backbone interact. energy: -0.056
local terms energy: -328.227492
where:
bonds (distance) C4'-P energy: -55.004
bonds (distance) P-C4' energy: -76.422
flat angles C4'-P-C4' energy: -59.287
flat angles P-C4'-P energy: -54.803
tors. eta vs tors. theta energy: -82.711
Dist. restrs. and SS energy: 6.562 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -976.142701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.142701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.430078 (E_RNA)
where:
Base-Base interactions energy: -688.188
where: short stacking energy: -264.868
Base-Backbone interact. energy: -1.326
local terms energy: -291.916879
where:
bonds (distance) C4'-P energy: -57.476
bonds (distance) P-C4' energy: -65.624
flat angles C4'-P-C4' energy: -63.918
flat angles P-C4'-P energy: -40.865
tors. eta vs tors. theta energy: -64.034
Dist. restrs. and SS energy: 5.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -993.590998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.590998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.513351 (E_RNA)
where:
Base-Base interactions energy: -705.504
where: short stacking energy: -294.263
Base-Backbone interact. energy: -1.575
local terms energy: -294.434071
where:
bonds (distance) C4'-P energy: -55.715
bonds (distance) P-C4' energy: -58.221
flat angles C4'-P-C4' energy: -63.731
flat angles P-C4'-P energy: -45.564
tors. eta vs tors. theta energy: -71.202
Dist. restrs. and SS energy: 7.922 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -900.783512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.783512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.175727 (E_RNA)
where:
Base-Base interactions energy: -621.120
where: short stacking energy: -228.042
Base-Backbone interact. energy: -1.607
local terms energy: -283.449240
where:
bonds (distance) C4'-P energy: -60.973
bonds (distance) P-C4' energy: -66.647
flat angles C4'-P-C4' energy: -58.084
flat angles P-C4'-P energy: -35.713
tors. eta vs tors. theta energy: -62.032
Dist. restrs. and SS energy: 5.392 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -862.682835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.682835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.140576 (E_RNA)
where:
Base-Base interactions energy: -613.600
where: short stacking energy: -233.039
Base-Backbone interact. energy: -1.698
local terms energy: -255.841940
where:
bonds (distance) C4'-P energy: -56.651
bonds (distance) P-C4' energy: -61.225
flat angles C4'-P-C4' energy: -50.663
flat angles P-C4'-P energy: -33.932
tors. eta vs tors. theta energy: -53.371
Dist. restrs. and SS energy: 8.458 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -827.524060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.524060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.915264 (E_RNA)
where:
Base-Base interactions energy: -580.686
where: short stacking energy: -211.345
Base-Backbone interact. energy: 0.879
local terms energy: -252.108244
where:
bonds (distance) C4'-P energy: -61.488
bonds (distance) P-C4' energy: -50.364
flat angles C4'-P-C4' energy: -64.909
flat angles P-C4'-P energy: -29.806
tors. eta vs tors. theta energy: -45.541
Dist. restrs. and SS energy: 4.391 (S_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: 388
Temperature: 0.900000
Total energy: -1221.151382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.151382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.513223 (E_RNA)
where:
Base-Base interactions energy: -850.185
where: short stacking energy: -350.736
Base-Backbone interact. energy: -1.257
local terms energy: -373.071296
where:
bonds (distance) C4'-P energy: -73.388
bonds (distance) P-C4' energy: -70.842
flat angles C4'-P-C4' energy: -75.453
flat angles P-C4'-P energy: -54.435
tors. eta vs tors. theta energy: -98.954
Dist. restrs. and SS energy: 3.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -1180.978406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.978406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.603467 (E_RNA)
where:
Base-Base interactions energy: -837.385
where: short stacking energy: -334.144
Base-Backbone interact. energy: -2.682
local terms energy: -343.535722
where:
bonds (distance) C4'-P energy: -53.450
bonds (distance) P-C4' energy: -66.360
flat angles C4'-P-C4' energy: -76.752
flat angles P-C4'-P energy: -49.409
tors. eta vs tors. theta energy: -97.565
Dist. restrs. and SS energy: 2.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -1113.482773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.482773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.397648 (E_RNA)
where:
Base-Base interactions energy: -765.892
where: short stacking energy: -292.865
Base-Backbone interact. energy: -2.716
local terms energy: -347.789041
where:
bonds (distance) C4'-P energy: -70.696
bonds (distance) P-C4' energy: -56.272
flat angles C4'-P-C4' energy: -83.810
flat angles P-C4'-P energy: -56.996
tors. eta vs tors. theta energy: -80.014
Dist. restrs. and SS energy: 2.915 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -1065.381796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.381796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.560447 (E_RNA)
where:
Base-Base interactions energy: -734.741
where: short stacking energy: -303.932
Base-Backbone interact. energy: 1.405
local terms energy: -335.224599
where:
bonds (distance) C4'-P energy: -68.539
bonds (distance) P-C4' energy: -61.502
flat angles C4'-P-C4' energy: -67.951
flat angles P-C4'-P energy: -54.523
tors. eta vs tors. theta energy: -82.709
Dist. restrs. and SS energy: 3.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -1059.202074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.202074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.448135 (E_RNA)
where:
Base-Base interactions energy: -735.579
where: short stacking energy: -308.724
Base-Backbone interact. energy: 0.211
local terms energy: -332.080506
where:
bonds (distance) C4'-P energy: -58.810
bonds (distance) P-C4' energy: -60.016
flat angles C4'-P-C4' energy: -69.989
flat angles P-C4'-P energy: -49.810
tors. eta vs tors. theta energy: -93.455
Dist. restrs. and SS energy: 8.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -959.915958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.915958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.885518 (E_RNA)
where:
Base-Base interactions energy: -682.932
where: short stacking energy: -258.803
Base-Backbone interact. energy: -0.569
local terms energy: -283.384864
where:
bonds (distance) C4'-P energy: -52.325
bonds (distance) P-C4' energy: -56.637
flat angles C4'-P-C4' energy: -66.292
flat angles P-C4'-P energy: -41.500
tors. eta vs tors. theta energy: -66.631
Dist. restrs. and SS energy: 6.970 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -930.328428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.328428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.477482 (E_RNA)
where:
Base-Base interactions energy: -663.886
where: short stacking energy: -266.120
Base-Backbone interact. energy: -0.805
local terms energy: -273.786420
where:
bonds (distance) C4'-P energy: -48.423
bonds (distance) P-C4' energy: -49.398
flat angles C4'-P-C4' energy: -67.737
flat angles P-C4'-P energy: -46.775
tors. eta vs tors. theta energy: -61.454
Dist. restrs. and SS energy: 8.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -936.841896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.841896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.346445 (E_RNA)
where:
Base-Base interactions energy: -672.100
where: short stacking energy: -269.656
Base-Backbone interact. energy: -1.050
local terms energy: -267.196486
where:
bonds (distance) C4'-P energy: -51.944
bonds (distance) P-C4' energy: -40.883
flat angles C4'-P-C4' energy: -60.400
flat angles P-C4'-P energy: -45.438
tors. eta vs tors. theta energy: -68.531
Dist. restrs. and SS energy: 3.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -876.535922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.535922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.504689 (E_RNA)
where:
Base-Base interactions energy: -623.586
where: short stacking energy: -252.570
Base-Backbone interact. energy: 0.345
local terms energy: -268.264042
where:
bonds (distance) C4'-P energy: -46.621
bonds (distance) P-C4' energy: -63.113
flat angles C4'-P-C4' energy: -56.304
flat angles P-C4'-P energy: -36.168
tors. eta vs tors. theta energy: -66.057
Dist. restrs. and SS energy: 14.969 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -804.671672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.671672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.772862 (E_RNA)
where:
Base-Base interactions energy: -572.772
where: short stacking energy: -240.253
Base-Backbone interact. energy: -0.771
local terms energy: -240.229635
where:
bonds (distance) C4'-P energy: -44.341
bonds (distance) P-C4' energy: -49.393
flat angles C4'-P-C4' energy: -54.355
flat angles P-C4'-P energy: -31.696
tors. eta vs tors. theta energy: -60.445
Dist. restrs. and SS energy: 9.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -1222.505998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.505998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.414672 (E_RNA)
where:
Base-Base interactions energy: -852.926
where: short stacking energy: -354.928
Base-Backbone interact. energy: -1.111
local terms energy: -372.378074
where:
bonds (distance) C4'-P energy: -64.067
bonds (distance) P-C4' energy: -79.924
flat angles C4'-P-C4' energy: -76.082
flat angles P-C4'-P energy: -52.748
tors. eta vs tors. theta energy: -99.557
Dist. restrs. and SS energy: 3.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -1184.403194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.403194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.210366 (E_RNA)
where:
Base-Base interactions energy: -820.417
where: short stacking energy: -339.197
Base-Backbone interact. energy: -0.503
local terms energy: -366.291159
where:
bonds (distance) C4'-P energy: -71.881
bonds (distance) P-C4' energy: -71.001
flat angles C4'-P-C4' energy: -69.772
flat angles P-C4'-P energy: -57.367
tors. eta vs tors. theta energy: -96.271
Dist. restrs. and SS energy: 2.807 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -1113.100541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.100541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.442252 (E_RNA)
where:
Base-Base interactions energy: -777.711
where: short stacking energy: -310.835
Base-Backbone interact. energy: -2.156
local terms energy: -336.574565
where:
bonds (distance) C4'-P energy: -72.122
bonds (distance) P-C4' energy: -55.781
flat angles C4'-P-C4' energy: -73.700
flat angles P-C4'-P energy: -46.724
tors. eta vs tors. theta energy: -88.248
Dist. restrs. and SS energy: 3.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -1075.375392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.375392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.255638 (E_RNA)
where:
Base-Base interactions energy: -738.352
where: short stacking energy: -299.741
Base-Backbone interact. energy: -2.114
local terms energy: -341.789045
where:
bonds (distance) C4'-P energy: -62.829
bonds (distance) P-C4' energy: -59.375
flat angles C4'-P-C4' energy: -72.163
flat angles P-C4'-P energy: -54.450
tors. eta vs tors. theta energy: -92.971
Dist. restrs. and SS energy: 6.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -1048.616897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.616897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.157750 (E_RNA)
where:
Base-Base interactions energy: -727.336
where: short stacking energy: -300.307
Base-Backbone interact. energy: -0.512
local terms energy: -325.309322
where:
bonds (distance) C4'-P energy: -65.816
bonds (distance) P-C4' energy: -61.595
flat angles C4'-P-C4' energy: -75.105
flat angles P-C4'-P energy: -43.581
tors. eta vs tors. theta energy: -79.212
Dist. restrs. and SS energy: 4.541 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -962.489799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.489799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.158745 (E_RNA)
where:
Base-Base interactions energy: -672.785
where: short stacking energy: -268.777
Base-Backbone interact. energy: -2.032
local terms energy: -293.342138
where:
bonds (distance) C4'-P energy: -52.128
bonds (distance) P-C4' energy: -65.473
flat angles C4'-P-C4' energy: -63.572
flat angles P-C4'-P energy: -45.337
tors. eta vs tors. theta energy: -66.832
Dist. restrs. and SS energy: 5.669 (S_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: 389
Temperature: 1.200000
Total energy: -945.940097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.940097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.366956 (E_RNA)
where:
Base-Base interactions energy: -655.989
where: short stacking energy: -268.750
Base-Backbone interact. energy: -3.351
local terms energy: -294.026500
where:
bonds (distance) C4'-P energy: -63.700
bonds (distance) P-C4' energy: -56.010
flat angles C4'-P-C4' energy: -70.554
flat angles P-C4'-P energy: -47.386
tors. eta vs tors. theta energy: -56.376
Dist. restrs. and SS energy: 7.427 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -967.502157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.502157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.797734 (E_RNA)
where:
Base-Base interactions energy: -689.040
where: short stacking energy: -265.913
Base-Backbone interact. energy: -0.619
local terms energy: -282.138523
where:
bonds (distance) C4'-P energy: -38.836
bonds (distance) P-C4' energy: -64.754
flat angles C4'-P-C4' energy: -56.644
flat angles P-C4'-P energy: -52.950
tors. eta vs tors. theta energy: -68.955
Dist. restrs. and SS energy: 4.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -883.864551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.864551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.849840 (E_RNA)
where:
Base-Base interactions energy: -637.272
where: short stacking energy: -257.006
Base-Backbone interact. energy: -0.185
local terms energy: -256.392513
where:
bonds (distance) C4'-P energy: -58.558
bonds (distance) P-C4' energy: -43.282
flat angles C4'-P-C4' energy: -57.287
flat angles P-C4'-P energy: -38.103
tors. eta vs tors. theta energy: -59.162
Dist. restrs. and SS energy: 9.985 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -800.648422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.648422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.796824 (E_RNA)
where:
Base-Base interactions energy: -551.939
where: short stacking energy: -211.986
Base-Backbone interact. energy: -0.787
local terms energy: -257.070663
where:
bonds (distance) C4'-P energy: -51.389
bonds (distance) P-C4' energy: -62.620
flat angles C4'-P-C4' energy: -58.326
flat angles P-C4'-P energy: -41.708
tors. eta vs tors. theta energy: -43.028
Dist. restrs. and SS energy: 9.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -1201.577827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.577827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.389749 (E_RNA)
where:
Base-Base interactions energy: -835.988
where: short stacking energy: -346.189
Base-Backbone interact. energy: -1.103
local terms energy: -367.298759
where:
bonds (distance) C4'-P energy: -59.197
bonds (distance) P-C4' energy: -71.636
flat angles C4'-P-C4' energy: -78.696
flat angles P-C4'-P energy: -61.823
tors. eta vs tors. theta energy: -95.947
Dist. restrs. and SS energy: 2.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -1193.500879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.500879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.566823 (E_RNA)
where:
Base-Base interactions energy: -825.572
where: short stacking energy: -333.529
Base-Backbone interact. energy: -3.381
local terms energy: -368.614550
where:
bonds (distance) C4'-P energy: -67.039
bonds (distance) P-C4' energy: -70.184
flat angles C4'-P-C4' energy: -78.934
flat angles P-C4'-P energy: -62.320
tors. eta vs tors. theta energy: -90.137
Dist. restrs. and SS energy: 4.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -1111.845619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.845619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.699943 (E_RNA)
where:
Base-Base interactions energy: -787.081
where: short stacking energy: -314.089
Base-Backbone interact. energy: -3.707
local terms energy: -323.911728
where:
bonds (distance) C4'-P energy: -66.949
bonds (distance) P-C4' energy: -65.155
flat angles C4'-P-C4' energy: -64.161
flat angles P-C4'-P energy: -43.585
tors. eta vs tors. theta energy: -84.062
Dist. restrs. and SS energy: 2.854 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -1102.680411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.680411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.162141 (E_RNA)
where:
Base-Base interactions energy: -776.863
where: short stacking energy: -322.946
Base-Backbone interact. energy: -2.564
local terms energy: -326.735968
where:
bonds (distance) C4'-P energy: -61.411
bonds (distance) P-C4' energy: -59.686
flat angles C4'-P-C4' energy: -72.756
flat angles P-C4'-P energy: -41.377
tors. eta vs tors. theta energy: -91.506
Dist. restrs. and SS energy: 3.482 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -1041.828701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.828701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.458803 (E_RNA)
where:
Base-Base interactions energy: -713.852
where: short stacking energy: -269.278
Base-Backbone interact. energy: -1.340
local terms energy: -329.267560
where:
bonds (distance) C4'-P energy: -57.421
bonds (distance) P-C4' energy: -79.123
flat angles C4'-P-C4' energy: -68.112
flat angles P-C4'-P energy: -42.509
tors. eta vs tors. theta energy: -82.102
Dist. restrs. and SS energy: 2.630 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -954.146701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.146701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.223575 (E_RNA)
where:
Base-Base interactions energy: -673.943
where: short stacking energy: -258.475
Base-Backbone interact. energy: 1.678
local terms energy: -287.957761
where:
bonds (distance) C4'-P energy: -59.550
bonds (distance) P-C4' energy: -58.862
flat angles C4'-P-C4' energy: -65.849
flat angles P-C4'-P energy: -41.392
tors. eta vs tors. theta energy: -62.306
Dist. restrs. and SS energy: 6.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -1007.832700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.832700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.526669 (E_RNA)
where:
Base-Base interactions energy: -706.772
where: short stacking energy: -279.137
Base-Backbone interact. energy: -2.246
local terms energy: -302.508830
where:
bonds (distance) C4'-P energy: -61.257
bonds (distance) P-C4' energy: -57.941
flat angles C4'-P-C4' energy: -69.661
flat angles P-C4'-P energy: -49.473
tors. eta vs tors. theta energy: -64.177
Dist. restrs. and SS energy: 3.694 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -916.398915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.398915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.943948 (E_RNA)
where:
Base-Base interactions energy: -647.833
where: short stacking energy: -255.981
Base-Backbone interact. energy: -0.823
local terms energy: -274.288419
where:
bonds (distance) C4'-P energy: -63.516
bonds (distance) P-C4' energy: -69.714
flat angles C4'-P-C4' energy: -59.171
flat angles P-C4'-P energy: -30.127
tors. eta vs tors. theta energy: -51.761
Dist. restrs. and SS energy: 6.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -851.743546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.743546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.022787 (E_RNA)
where:
Base-Base interactions energy: -598.071
where: short stacking energy: -231.458
Base-Backbone interact. energy: 0.513
local terms energy: -264.464597
where:
bonds (distance) C4'-P energy: -56.358
bonds (distance) P-C4' energy: -56.738
flat angles C4'-P-C4' energy: -60.611
flat angles P-C4'-P energy: -40.106
tors. eta vs tors. theta energy: -50.652
Dist. restrs. and SS energy: 10.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -807.820189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.820189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.451998 (E_RNA)
where:
Base-Base interactions energy: -559.929
where: short stacking energy: -220.629
Base-Backbone interact. energy: 0.930
local terms energy: -255.452399
where:
bonds (distance) C4'-P energy: -64.014
bonds (distance) P-C4' energy: -45.049
flat angles C4'-P-C4' energy: -54.132
flat angles P-C4'-P energy: -41.529
tors. eta vs tors. theta energy: -50.729
Dist. restrs. and SS energy: 6.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -1196.757327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.757327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.438194 (E_RNA)
where:
Base-Base interactions energy: -824.348
where: short stacking energy: -333.439
Base-Backbone interact. energy: -0.297
local terms energy: -374.792961
where:
bonds (distance) C4'-P energy: -72.817
bonds (distance) P-C4' energy: -72.844
flat angles C4'-P-C4' energy: -80.756
flat angles P-C4'-P energy: -53.938
tors. eta vs tors. theta energy: -94.438
Dist. restrs. and SS energy: 2.681 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -1197.346929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.346929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.376338 (E_RNA)
where:
Base-Base interactions energy: -847.578
where: short stacking energy: -334.288
Base-Backbone interact. energy: -1.741
local terms energy: -351.057696
where:
bonds (distance) C4'-P energy: -69.148
bonds (distance) P-C4' energy: -66.293
flat angles C4'-P-C4' energy: -71.344
flat angles P-C4'-P energy: -55.137
tors. eta vs tors. theta energy: -89.134
Dist. restrs. and SS energy: 3.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -1139.519717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.519717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.387909 (E_RNA)
where:
Base-Base interactions energy: -806.812
where: short stacking energy: -323.720
Base-Backbone interact. energy: -0.924
local terms energy: -335.652060
where:
bonds (distance) C4'-P energy: -56.872
bonds (distance) P-C4' energy: -69.900
flat angles C4'-P-C4' energy: -80.523
flat angles P-C4'-P energy: -52.681
tors. eta vs tors. theta energy: -75.676
Dist. restrs. and SS energy: 3.868 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -1071.716840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.716840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.615638 (E_RNA)
where:
Base-Base interactions energy: -743.300
where: short stacking energy: -297.775
Base-Backbone interact. energy: -1.318
local terms energy: -330.997750
where:
bonds (distance) C4'-P energy: -55.615
bonds (distance) P-C4' energy: -58.501
flat angles C4'-P-C4' energy: -71.358
flat angles P-C4'-P energy: -54.662
tors. eta vs tors. theta energy: -90.862
Dist. restrs. and SS energy: 3.899 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -1057.232978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.232978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.278701 (E_RNA)
where:
Base-Base interactions energy: -733.405
where: short stacking energy: -309.123
Base-Backbone interact. energy: -0.898
local terms energy: -327.975842
where:
bonds (distance) C4'-P energy: -69.004
bonds (distance) P-C4' energy: -57.399
flat angles C4'-P-C4' energy: -71.181
flat angles P-C4'-P energy: -42.182
tors. eta vs tors. theta energy: -88.210
Dist. restrs. and SS energy: 5.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -1003.768764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.768764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.637929 (E_RNA)
where:
Base-Base interactions energy: -716.518
where: short stacking energy: -278.641
Base-Backbone interact. energy: -2.878
local terms energy: -287.242079
where:
bonds (distance) C4'-P energy: -58.985
bonds (distance) P-C4' energy: -64.618
flat angles C4'-P-C4' energy: -59.614
flat angles P-C4'-P energy: -40.587
tors. eta vs tors. theta energy: -63.438
Dist. restrs. and SS energy: 2.869 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -957.555045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.555045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.808841 (E_RNA)
where:
Base-Base interactions energy: -659.990
where: short stacking energy: -252.939
Base-Backbone interact. energy: 0.038
local terms energy: -300.856800
where:
bonds (distance) C4'-P energy: -62.745
bonds (distance) P-C4' energy: -60.399
flat angles C4'-P-C4' energy: -66.147
flat angles P-C4'-P energy: -44.118
tors. eta vs tors. theta energy: -67.448
Dist. restrs. and SS energy: 3.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -889.438615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.438615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.451794 (E_RNA)
where:
Base-Base interactions energy: -632.240
where: short stacking energy: -257.737
Base-Backbone interact. energy: -0.761
local terms energy: -265.450765
where:
bonds (distance) C4'-P energy: -50.276
bonds (distance) P-C4' energy: -52.405
flat angles C4'-P-C4' energy: -58.448
flat angles P-C4'-P energy: -40.772
tors. eta vs tors. theta energy: -63.550
Dist. restrs. and SS energy: 9.013 (S_DIST_RNA)
chem. 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: -869.163474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.163474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.461114 (E_RNA)
where:
Base-Base interactions energy: -627.450
where: short stacking energy: -252.256
Base-Backbone interact. energy: 5.397
local terms energy: -258.407800
where:
bonds (distance) C4'-P energy: -54.503
bonds (distance) P-C4' energy: -56.395
flat angles C4'-P-C4' energy: -57.610
flat angles P-C4'-P energy: -37.465
tors. eta vs tors. theta energy: -52.436
Dist. restrs. and SS energy: 11.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -818.170932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.170932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.835281 (E_RNA)
where:
Base-Base interactions energy: -571.683
where: short stacking energy: -233.477
Base-Backbone interact. energy: -0.597
local terms energy: -254.554740
where:
bonds (distance) C4'-P energy: -51.096
bonds (distance) P-C4' energy: -56.757
flat angles C4'-P-C4' energy: -60.473
flat angles P-C4'-P energy: -40.819
tors. eta vs tors. theta energy: -45.411
Dist. restrs. and SS energy: 8.664 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -1197.032676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.032676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.656250 (E_RNA)
where:
Base-Base interactions energy: -848.832
where: short stacking energy: -344.317
Base-Backbone interact. energy: -1.953
local terms energy: -348.871820
where:
bonds (distance) C4'-P energy: -69.399
bonds (distance) P-C4' energy: -68.273
flat angles C4'-P-C4' energy: -71.324
flat angles P-C4'-P energy: -43.947
tors. eta vs tors. theta energy: -95.928
Dist. restrs. and SS energy: 2.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -1203.555514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.555514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.733868 (E_RNA)
where:
Base-Base interactions energy: -861.821
where: short stacking energy: -331.377
Base-Backbone interact. energy: -3.584
local terms energy: -341.329452
where:
bonds (distance) C4'-P energy: -62.738
bonds (distance) P-C4' energy: -56.151
flat angles C4'-P-C4' energy: -76.283
flat angles P-C4'-P energy: -49.910
tors. eta vs tors. theta energy: -96.248
Dist. restrs. and SS energy: 3.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -1117.911547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.911547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.097844 (E_RNA)
where:
Base-Base interactions energy: -794.142
where: short stacking energy: -299.756
Base-Backbone interact. energy: -3.260
local terms energy: -323.695681
where:
bonds (distance) C4'-P energy: -56.567
bonds (distance) P-C4' energy: -68.005
flat angles C4'-P-C4' energy: -78.383
flat angles P-C4'-P energy: -44.622
tors. eta vs tors. theta energy: -76.119
Dist. restrs. and SS energy: 3.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -1131.614542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.614542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.483161 (E_RNA)
where:
Base-Base interactions energy: -784.407
where: short stacking energy: -311.043
Base-Backbone interact. energy: -1.979
local terms energy: -348.096863
where:
bonds (distance) C4'-P energy: -67.581
bonds (distance) P-C4' energy: -68.520
flat angles C4'-P-C4' energy: -75.779
flat angles P-C4'-P energy: -43.673
tors. eta vs tors. theta energy: -92.544
Dist. restrs. and SS energy: 2.869 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -1031.820797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.820797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.356213 (E_RNA)
where:
Base-Base interactions energy: -717.333
where: short stacking energy: -315.377
Base-Backbone interact. energy: -0.912
local terms energy: -318.111284
where:
bonds (distance) C4'-P energy: -50.495
bonds (distance) P-C4' energy: -57.181
flat angles C4'-P-C4' energy: -71.289
flat angles P-C4'-P energy: -51.242
tors. eta vs tors. theta energy: -87.905
Dist. restrs. and SS energy: 4.535 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -1007.271330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.271330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.530309 (E_RNA)
where:
Base-Base interactions energy: -687.132
where: short stacking energy: -279.739
Base-Backbone interact. energy: -2.756
local terms energy: -320.642612
where:
bonds (distance) C4'-P energy: -56.813
bonds (distance) P-C4' energy: -66.583
flat angles C4'-P-C4' energy: -71.525
flat angles P-C4'-P energy: -46.872
tors. eta vs tors. theta energy: -78.848
Dist. restrs. and SS energy: 3.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -964.388817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.388817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.762769 (E_RNA)
where:
Base-Base interactions energy: -685.056
where: short stacking energy: -263.964
Base-Backbone interact. energy: 2.112
local terms energy: -284.819116
where:
bonds (distance) C4'-P energy: -55.802
bonds (distance) P-C4' energy: -54.677
flat angles C4'-P-C4' energy: -65.521
flat angles P-C4'-P energy: -38.924
tors. eta vs tors. theta energy: -69.896
Dist. restrs. and SS energy: 3.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -880.019931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.019931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.583059 (E_RNA)
where:
Base-Base interactions energy: -618.924
where: short stacking energy: -235.130
Base-Backbone interact. energy: 1.936
local terms energy: -267.594745
where:
bonds (distance) C4'-P energy: -56.483
bonds (distance) P-C4' energy: -67.641
flat angles C4'-P-C4' energy: -57.676
flat angles P-C4'-P energy: -44.048
tors. eta vs tors. theta energy: -41.746
Dist. restrs. and SS energy: 4.563 (S_DIST_RNA)
chem. 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: -885.293367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.293367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.935111 (E_RNA)
where:
Base-Base interactions energy: -632.853
where: short stacking energy: -238.744
Base-Backbone interact. energy: -2.456
local terms energy: -258.625423
where:
bonds (distance) C4'-P energy: -55.464
bonds (distance) P-C4' energy: -53.282
flat angles C4'-P-C4' energy: -65.090
flat angles P-C4'-P energy: -39.465
tors. eta vs tors. theta energy: -45.326
Dist. restrs. and SS energy: 8.642 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -811.933972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.933972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.628863 (E_RNA)
where:
Base-Base interactions energy: -569.859
where: short stacking energy: -210.335
Base-Backbone interact. energy: 9.552
local terms energy: -255.322494
where:
bonds (distance) C4'-P energy: -47.456
bonds (distance) P-C4' energy: -66.606
flat angles C4'-P-C4' energy: -60.106
flat angles P-C4'-P energy: -35.760
tors. eta vs tors. theta energy: -45.394
Dist. restrs. and SS energy: 3.695 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -1194.762538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.762538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.763515 (E_RNA)
where:
Base-Base interactions energy: -813.435
where: short stacking energy: -332.914
Base-Backbone interact. energy: -4.305
local terms energy: -380.023520
where:
bonds (distance) C4'-P energy: -70.045
bonds (distance) P-C4' energy: -74.782
flat angles C4'-P-C4' energy: -77.490
flat angles P-C4'-P energy: -61.736
tors. eta vs tors. theta energy: -95.970
Dist. restrs. and SS energy: 3.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -1211.933412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.933412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.171666 (E_RNA)
where:
Base-Base interactions energy: -847.790
where: short stacking energy: -345.967
Base-Backbone interact. energy: -1.751
local terms energy: -365.630990
where:
bonds (distance) C4'-P energy: -66.214
bonds (distance) P-C4' energy: -78.594
flat angles C4'-P-C4' energy: -75.815
flat angles P-C4'-P energy: -51.719
tors. eta vs tors. theta energy: -93.289
Dist. restrs. and SS energy: 3.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -1108.731758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.731758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.823341 (E_RNA)
where:
Base-Base interactions energy: -787.256
where: short stacking energy: -317.882
Base-Backbone interact. energy: 2.530
local terms energy: -327.097070
where:
bonds (distance) C4'-P energy: -48.540
bonds (distance) P-C4' energy: -69.414
flat angles C4'-P-C4' energy: -76.638
flat angles P-C4'-P energy: -49.592
tors. eta vs tors. theta energy: -82.913
Dist. restrs. and SS energy: 3.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -1112.770932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.770932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.560282 (E_RNA)
where:
Base-Base interactions energy: -790.796
where: short stacking energy: -332.989
Base-Backbone interact. energy: 2.320
local terms energy: -329.083591
where:
bonds (distance) C4'-P energy: -58.436
bonds (distance) P-C4' energy: -63.552
flat angles C4'-P-C4' energy: -66.738
flat angles P-C4'-P energy: -45.141
tors. eta vs tors. theta energy: -95.217
Dist. restrs. and SS energy: 4.789 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -1032.376162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.376162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.067486 (E_RNA)
where:
Base-Base interactions energy: -734.158
where: short stacking energy: -294.102
Base-Backbone interact. energy: 2.232
local terms energy: -304.141634
where:
bonds (distance) C4'-P energy: -66.550
bonds (distance) P-C4' energy: -50.988
flat angles C4'-P-C4' energy: -64.257
flat angles P-C4'-P energy: -44.213
tors. eta vs tors. theta energy: -78.133
Dist. restrs. and SS energy: 3.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -1042.223929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.223929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.772600 (E_RNA)
where:
Base-Base interactions energy: -731.814
where: short stacking energy: -283.780
Base-Backbone interact. energy: -1.842
local terms energy: -312.116476
where:
bonds (distance) C4'-P energy: -53.528
bonds (distance) P-C4' energy: -54.559
flat angles C4'-P-C4' energy: -70.365
flat angles P-C4'-P energy: -50.773
tors. eta vs tors. theta energy: -82.891
Dist. restrs. and SS energy: 3.549 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -961.815293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.815293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.016458 (E_RNA)
where:
Base-Base interactions energy: -673.098
where: short stacking energy: -260.726
Base-Backbone interact. energy: -0.683
local terms energy: -291.235226
where:
bonds (distance) C4'-P energy: -53.396
bonds (distance) P-C4' energy: -54.380
flat angles C4'-P-C4' energy: -65.354
flat angles P-C4'-P energy: -43.590
tors. eta vs tors. theta energy: -74.515
Dist. restrs. and SS energy: 3.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -902.447904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.447904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.105250 (E_RNA)
where:
Base-Base interactions energy: -653.274
where: short stacking energy: -248.600
Base-Backbone interact. energy: -0.231
local terms energy: -255.599972
where:
bonds (distance) C4'-P energy: -55.652
bonds (distance) P-C4' energy: -59.965
flat angles C4'-P-C4' energy: -58.684
flat angles P-C4'-P energy: -29.106
tors. eta vs tors. theta energy: -52.192
Dist. restrs. and SS energy: 6.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -860.097811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.097811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.108485 (E_RNA)
where:
Base-Base interactions energy: -608.148
where: short stacking energy: -232.288
Base-Backbone interact. energy: 1.096
local terms energy: -257.056059
where:
bonds (distance) C4'-P energy: -50.009
bonds (distance) P-C4' energy: -53.463
flat angles C4'-P-C4' energy: -45.874
flat angles P-C4'-P energy: -45.983
tors. eta vs tors. theta energy: -61.726
Dist. restrs. and SS energy: 4.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -797.891106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.891106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.151323 (E_RNA)
where:
Base-Base interactions energy: -560.098
where: short stacking energy: -217.416
Base-Backbone interact. energy: 0.194
local terms energy: -242.247904
where:
bonds (distance) C4'-P energy: -55.871
bonds (distance) P-C4' energy: -59.324
flat angles C4'-P-C4' energy: -57.587
flat angles P-C4'-P energy: -28.637
tors. eta vs tors. theta energy: -40.829
Dist. restrs. and SS energy: 4.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -1209.367319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.367319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.340362 (E_RNA)
where:
Base-Base interactions energy: -846.670
where: short stacking energy: -348.879
Base-Backbone interact. energy: -1.191
local terms energy: -364.479639
where:
bonds (distance) C4'-P energy: -66.431
bonds (distance) P-C4' energy: -70.868
flat angles C4'-P-C4' energy: -79.804
flat angles P-C4'-P energy: -48.689
tors. eta vs tors. theta energy: -98.688
Dist. restrs. and SS energy: 2.973 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -1165.115057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.115057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.927914 (E_RNA)
where:
Base-Base interactions energy: -807.780
where: short stacking energy: -307.504
Base-Backbone interact. energy: -2.843
local terms energy: -357.304332
where:
bonds (distance) C4'-P energy: -60.177
bonds (distance) P-C4' energy: -67.085
flat angles C4'-P-C4' energy: -76.885
flat angles P-C4'-P energy: -62.519
tors. eta vs tors. theta energy: -90.639
Dist. restrs. and SS energy: 2.813 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -1130.906296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.906296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.810867 (E_RNA)
where:
Base-Base interactions energy: -770.065
where: short stacking energy: -317.217
Base-Backbone interact. energy: -2.669
local terms energy: -363.077298
where:
bonds (distance) C4'-P energy: -72.164
bonds (distance) P-C4' energy: -66.150
flat angles C4'-P-C4' energy: -78.323
flat angles P-C4'-P energy: -58.210
tors. eta vs tors. theta energy: -88.230
Dist. restrs. and SS energy: 4.905 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -1131.542344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.542344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.155602 (E_RNA)
where:
Base-Base interactions energy: -799.546
where: short stacking energy: -317.011
Base-Backbone interact. energy: -2.578
local terms energy: -334.031412
where:
bonds (distance) C4'-P energy: -48.710
bonds (distance) P-C4' energy: -71.557
flat angles C4'-P-C4' energy: -76.057
flat angles P-C4'-P energy: -46.302
tors. eta vs tors. theta energy: -91.406
Dist. restrs. and SS energy: 4.613 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -1022.020988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.020988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.371273 (E_RNA)
where:
Base-Base interactions energy: -709.985
where: short stacking energy: -295.063
Base-Backbone interact. energy: 2.838
local terms energy: -320.223683
where:
bonds (distance) C4'-P energy: -66.494
bonds (distance) P-C4' energy: -68.755
flat angles C4'-P-C4' energy: -72.701
flat angles P-C4'-P energy: -38.826
tors. eta vs tors. theta energy: -73.448
Dist. restrs. and SS energy: 5.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -1009.609393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.609393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.820006 (E_RNA)
where:
Base-Base interactions energy: -716.219
where: short stacking energy: -294.835
Base-Backbone interact. energy: 0.716
local terms energy: -298.316819
where:
bonds (distance) C4'-P energy: -57.680
bonds (distance) P-C4' energy: -42.577
flat angles C4'-P-C4' energy: -73.739
flat angles P-C4'-P energy: -42.869
tors. eta vs tors. theta energy: -81.452
Dist. restrs. and SS energy: 4.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -1015.324502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.324502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.155706 (E_RNA)
where:
Base-Base interactions energy: -712.759
where: short stacking energy: -286.978
Base-Backbone interact. energy: -1.426
local terms energy: -304.970791
where:
bonds (distance) C4'-P energy: -45.072
bonds (distance) P-C4' energy: -70.247
flat angles C4'-P-C4' energy: -70.740
flat angles P-C4'-P energy: -44.828
tors. eta vs tors. theta energy: -74.084
Dist. restrs. and SS energy: 3.831 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -943.147854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.147854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.499509 (E_RNA)
where:
Base-Base interactions energy: -666.621
where: short stacking energy: -262.270
Base-Backbone interact. energy: -2.981
local terms energy: -280.897473
where:
bonds (distance) C4'-P energy: -66.683
bonds (distance) P-C4' energy: -56.771
flat angles C4'-P-C4' energy: -65.101
flat angles P-C4'-P energy: -27.793
tors. eta vs tors. theta energy: -64.550
Dist. restrs. and SS energy: 7.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -848.049881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.049881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.339971 (E_RNA)
where:
Base-Base interactions energy: -584.392
where: short stacking energy: -232.457
Base-Backbone interact. energy: 0.541
local terms energy: -270.488616
where:
bonds (distance) C4'-P energy: -46.389
bonds (distance) P-C4' energy: -65.307
flat angles C4'-P-C4' energy: -59.233
flat angles P-C4'-P energy: -47.013
tors. eta vs tors. theta energy: -52.546
Dist. restrs. and SS energy: 6.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -852.573004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.573004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.806811 (E_RNA)
where:
Base-Base interactions energy: -595.757
where: short stacking energy: -226.863
Base-Backbone interact. energy: -0.596
local terms energy: -262.453595
where:
bonds (distance) C4'-P energy: -52.393
bonds (distance) P-C4' energy: -66.342
flat angles C4'-P-C4' energy: -60.328
flat angles P-C4'-P energy: -31.723
tors. eta vs tors. theta energy: -51.668
Dist. restrs. and SS energy: 6.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -1230.728090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.728090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.887652 (E_RNA)
where:
Base-Base interactions energy: -872.917
where: short stacking energy: -352.911
Base-Backbone interact. energy: -3.376
local terms energy: -357.594581
where:
bonds (distance) C4'-P energy: -67.141
bonds (distance) P-C4' energy: -65.073
flat angles C4'-P-C4' energy: -78.034
flat angles P-C4'-P energy: -48.071
tors. eta vs tors. theta energy: -99.276
Dist. restrs. and SS energy: 3.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -1158.048535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.048535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.589629 (E_RNA)
where:
Base-Base interactions energy: -804.196
where: short stacking energy: -325.405
Base-Backbone interact. energy: -1.641
local terms energy: -354.753550
where:
bonds (distance) C4'-P energy: -62.874
bonds (distance) P-C4' energy: -69.593
flat angles C4'-P-C4' energy: -74.666
flat angles P-C4'-P energy: -52.606
tors. eta vs tors. theta energy: -95.016
Dist. restrs. and SS energy: 2.541 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -1124.089534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.089534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.707410 (E_RNA)
where:
Base-Base interactions energy: -802.414
where: short stacking energy: -327.005
Base-Backbone interact. energy: 3.365
local terms energy: -330.658326
where:
bonds (distance) C4'-P energy: -53.776
bonds (distance) P-C4' energy: -64.257
flat angles C4'-P-C4' energy: -70.275
flat angles P-C4'-P energy: -53.064
tors. eta vs tors. theta energy: -89.285
Dist. restrs. and SS energy: 5.618 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -1127.502869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.502869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.640304 (E_RNA)
where:
Base-Base interactions energy: -789.472
where: short stacking energy: -321.177
Base-Backbone interact. energy: 1.484
local terms energy: -342.652529
where:
bonds (distance) C4'-P energy: -57.822
bonds (distance) P-C4' energy: -72.846
flat angles C4'-P-C4' energy: -60.838
flat angles P-C4'-P energy: -48.899
tors. eta vs tors. theta energy: -102.247
Dist. restrs. and SS energy: 3.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -1039.280942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.280942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.526146 (E_RNA)
where:
Base-Base interactions energy: -708.790
where: short stacking energy: -288.303
Base-Backbone interact. energy: -1.653
local terms energy: -332.083334
where:
bonds (distance) C4'-P energy: -69.717
bonds (distance) P-C4' energy: -60.578
flat angles C4'-P-C4' energy: -65.819
flat angles P-C4'-P energy: -49.743
tors. eta vs tors. theta energy: -86.227
Dist. restrs. and SS energy: 3.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -1036.433497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.433497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.949082 (E_RNA)
where:
Base-Base interactions energy: -738.741
where: short stacking energy: -283.076
Base-Backbone interact. energy: -1.389
local terms energy: -299.818528
where:
bonds (distance) C4'-P energy: -52.588
bonds (distance) P-C4' energy: -67.236
flat angles C4'-P-C4' energy: -70.228
flat angles P-C4'-P energy: -32.594
tors. eta vs tors. theta energy: -77.173
Dist. restrs. and SS energy: 3.516 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -981.551263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.551263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.937281 (E_RNA)
where:
Base-Base interactions energy: -692.596
where: short stacking energy: -284.190
Base-Backbone interact. energy: -2.180
local terms energy: -290.161395
where:
bonds (distance) C4'-P energy: -59.879
bonds (distance) P-C4' energy: -52.169
flat angles C4'-P-C4' energy: -66.842
flat angles P-C4'-P energy: -40.522
tors. eta vs tors. theta energy: -70.750
Dist. restrs. and SS energy: 3.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -924.212791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.212791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.566912 (E_RNA)
where:
Base-Base interactions energy: -658.379
where: short stacking energy: -257.373
Base-Backbone interact. energy: -0.296
local terms energy: -273.891910
where:
bonds (distance) C4'-P energy: -65.828
bonds (distance) P-C4' energy: -58.647
flat angles C4'-P-C4' energy: -56.933
flat angles P-C4'-P energy: -33.457
tors. eta vs tors. theta energy: -59.027
Dist. restrs. and SS energy: 8.354 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -835.430217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.430217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.695076 (E_RNA)
where:
Base-Base interactions energy: -590.516
where: short stacking energy: -226.872
Base-Backbone interact. energy: -0.265
local terms energy: -248.914663
where:
bonds (distance) C4'-P energy: -40.769
bonds (distance) P-C4' energy: -65.963
flat angles C4'-P-C4' energy: -51.966
flat angles P-C4'-P energy: -38.224
tors. eta vs tors. theta energy: -51.992
Dist. restrs. and SS energy: 4.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -838.036527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.036527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.961495 (E_RNA)
where:
Base-Base interactions energy: -600.946
where: short stacking energy: -233.610
Base-Backbone interact. energy: -0.995
local terms energy: -241.020511
where:
bonds (distance) C4'-P energy: -57.868
bonds (distance) P-C4' energy: -45.241
flat angles C4'-P-C4' energy: -56.796
flat angles P-C4'-P energy: -31.050
tors. eta vs tors. theta energy: -50.064
Dist. restrs. and SS energy: 4.925 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -1227.139677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.139677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.414855 (E_RNA)
where:
Base-Base interactions energy: -860.125
where: short stacking energy: -330.614
Base-Backbone interact. energy: -3.761
local terms energy: -366.528926
where:
bonds (distance) C4'-P energy: -71.434
bonds (distance) P-C4' energy: -67.873
flat angles C4'-P-C4' energy: -75.625
flat angles P-C4'-P energy: -56.489
tors. eta vs tors. theta energy: -95.108
Dist. restrs. and SS energy: 3.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -1167.563383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.563383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.183642 (E_RNA)
where:
Base-Base interactions energy: -819.422
where: short stacking energy: -325.473
Base-Backbone interact. energy: -0.680
local terms energy: -351.081504
where:
bonds (distance) C4'-P energy: -68.718
bonds (distance) P-C4' energy: -69.701
flat angles C4'-P-C4' energy: -73.779
flat angles P-C4'-P energy: -55.960
tors. eta vs tors. theta energy: -82.923
Dist. restrs. and SS energy: 3.620 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -1140.625431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.625431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.689136 (E_RNA)
where:
Base-Base interactions energy: -804.372
where: short stacking energy: -333.260
Base-Backbone interact. energy: -1.535
local terms energy: -337.782206
where:
bonds (distance) C4'-P energy: -53.633
bonds (distance) P-C4' energy: -61.632
flat angles C4'-P-C4' energy: -80.600
flat angles P-C4'-P energy: -43.788
tors. eta vs tors. theta energy: -98.129
Dist. restrs. and SS energy: 3.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -1142.918057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.918057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.375408 (E_RNA)
where:
Base-Base interactions energy: -794.395
where: short stacking energy: -329.019
Base-Backbone interact. energy: -1.487
local terms energy: -352.493873
where:
bonds (distance) C4'-P energy: -56.749
bonds (distance) P-C4' energy: -68.780
flat angles C4'-P-C4' energy: -76.058
flat angles P-C4'-P energy: -55.903
tors. eta vs tors. theta energy: -95.004
Dist. restrs. and SS energy: 5.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -1083.331241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.331241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.557549 (E_RNA)
where:
Base-Base interactions energy: -775.761
where: short stacking energy: -312.363
Base-Backbone interact. energy: 1.012
local terms energy: -311.807752
where:
bonds (distance) C4'-P energy: -56.951
bonds (distance) P-C4' energy: -57.085
flat angles C4'-P-C4' energy: -71.477
flat angles P-C4'-P energy: -41.850
tors. eta vs tors. theta energy: -84.444
Dist. restrs. and SS energy: 3.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -988.709671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.709671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.805425 (E_RNA)
where:
Base-Base interactions energy: -693.772
where: short stacking energy: -282.862
Base-Backbone interact. energy: -1.223
local terms energy: -297.811290
where:
bonds (distance) C4'-P energy: -59.490
bonds (distance) P-C4' energy: -52.856
flat angles C4'-P-C4' energy: -72.798
flat angles P-C4'-P energy: -38.450
tors. eta vs tors. theta energy: -74.217
Dist. restrs. and SS energy: 4.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -989.899682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.899682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.203854 (E_RNA)
where:
Base-Base interactions energy: -688.276
where: short stacking energy: -270.247
Base-Backbone interact. energy: -0.224
local terms energy: -305.703543
where:
bonds (distance) C4'-P energy: -54.418
bonds (distance) P-C4' energy: -69.515
flat angles C4'-P-C4' energy: -65.863
flat angles P-C4'-P energy: -40.428
tors. eta vs tors. theta energy: -75.479
Dist. restrs. and SS energy: 4.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -915.305170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.305170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.402961 (E_RNA)
where:
Base-Base interactions energy: -658.083
where: short stacking energy: -253.502
Base-Backbone interact. energy: -1.174
local terms energy: -264.146069
where:
bonds (distance) C4'-P energy: -63.859
bonds (distance) P-C4' energy: -53.247
flat angles C4'-P-C4' energy: -56.100
flat angles P-C4'-P energy: -30.439
tors. eta vs tors. theta energy: -60.501
Dist. restrs. and SS energy: 8.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -894.993923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.993923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.100177 (E_RNA)
where:
Base-Base interactions energy: -633.264
where: short stacking energy: -252.108
Base-Backbone interact. energy: 4.702
local terms energy: -271.538599
where:
bonds (distance) C4'-P energy: -56.053
bonds (distance) P-C4' energy: -54.989
flat angles C4'-P-C4' energy: -65.360
flat angles P-C4'-P energy: -39.210
tors. eta vs tors. theta energy: -55.928
Dist. restrs. and SS energy: 5.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -848.684216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.684216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.982785 (E_RNA)
where:
Base-Base interactions energy: -588.970
where: short stacking energy: -226.472
Base-Backbone interact. energy: 3.331
local terms energy: -267.343212
where:
bonds (distance) C4'-P energy: -56.403
bonds (distance) P-C4' energy: -47.359
flat angles C4'-P-C4' energy: -71.046
flat angles P-C4'-P energy: -34.946
tors. eta vs tors. theta energy: -57.590
Dist. restrs. and SS energy: 4.299 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -1243.414199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.414199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.804706 (E_RNA)
where:
Base-Base interactions energy: -868.052
where: short stacking energy: -343.419
Base-Backbone interact. energy: -4.931
local terms energy: -373.821621
where:
bonds (distance) C4'-P energy: -67.099
bonds (distance) P-C4' energy: -73.515
flat angles C4'-P-C4' energy: -76.135
flat angles P-C4'-P energy: -60.887
tors. eta vs tors. theta energy: -96.186
Dist. restrs. and SS energy: 3.391 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -1167.634865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.634865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.110552 (E_RNA)
where:
Base-Base interactions energy: -815.630
where: short stacking energy: -332.788
Base-Backbone interact. energy: -0.960
local terms energy: -354.520521
where:
bonds (distance) C4'-P energy: -59.953
bonds (distance) P-C4' energy: -67.547
flat angles C4'-P-C4' energy: -79.223
flat angles P-C4'-P energy: -53.007
tors. eta vs tors. theta energy: -94.790
Dist. restrs. and SS energy: 3.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -1157.149380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.149380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.713413 (E_RNA)
where:
Base-Base interactions energy: -802.917
where: short stacking energy: -332.398
Base-Backbone interact. energy: -0.870
local terms energy: -356.926521
where:
bonds (distance) C4'-P energy: -63.321
bonds (distance) P-C4' energy: -75.386
flat angles C4'-P-C4' energy: -68.541
flat angles P-C4'-P energy: -55.129
tors. eta vs tors. theta energy: -94.549
Dist. restrs. and SS energy: 3.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -1137.034173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.034173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.158396 (E_RNA)
where:
Base-Base interactions energy: -809.254
where: short stacking energy: -352.021
Base-Backbone interact. energy: -2.579
local terms energy: -330.325192
where:
bonds (distance) C4'-P energy: -49.692
bonds (distance) P-C4' energy: -62.174
flat angles C4'-P-C4' energy: -67.523
flat angles P-C4'-P energy: -52.751
tors. eta vs tors. theta energy: -98.186
Dist. restrs. and SS energy: 5.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -1056.302467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.302467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.350909 (E_RNA)
where:
Base-Base interactions energy: -743.989
where: short stacking energy: -321.533
Base-Backbone interact. energy: 1.291
local terms energy: -317.652726
where:
bonds (distance) C4'-P energy: -59.220
bonds (distance) P-C4' energy: -69.421
flat angles C4'-P-C4' energy: -66.031
flat angles P-C4'-P energy: -41.926
tors. eta vs tors. theta energy: -81.055
Dist. restrs. and SS energy: 4.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -1038.649517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.649517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.149594 (E_RNA)
where:
Base-Base interactions energy: -722.820
where: short stacking energy: -293.670
Base-Backbone interact. energy: -2.903
local terms energy: -317.426833
where:
bonds (distance) C4'-P energy: -66.771
bonds (distance) P-C4' energy: -60.574
flat angles C4'-P-C4' energy: -70.055
flat angles P-C4'-P energy: -39.930
tors. eta vs tors. theta energy: -80.098
Dist. restrs. and SS energy: 4.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -988.487068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.487068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.688623 (E_RNA)
where:
Base-Base interactions energy: -682.559
where: short stacking energy: -274.718
Base-Backbone interact. energy: -0.411
local terms energy: -308.718798
where:
bonds (distance) C4'-P energy: -47.875
bonds (distance) P-C4' energy: -67.785
flat angles C4'-P-C4' energy: -66.634
flat angles P-C4'-P energy: -48.309
tors. eta vs tors. theta energy: -78.115
Dist. restrs. and SS energy: 3.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -880.269333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.269333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.962775 (E_RNA)
where:
Base-Base interactions energy: -630.144
where: short stacking energy: -229.566
Base-Backbone interact. energy: -0.094
local terms energy: -260.724662
where:
bonds (distance) C4'-P energy: -55.176
bonds (distance) P-C4' energy: -61.937
flat angles C4'-P-C4' energy: -52.318
flat angles P-C4'-P energy: -42.474
tors. eta vs tors. theta energy: -48.820
Dist. restrs. and SS energy: 10.693 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -872.245944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.245944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.901018 (E_RNA)
where:
Base-Base interactions energy: -623.545
where: short stacking energy: -238.548
Base-Backbone interact. energy: 4.016
local terms energy: -259.371965
where:
bonds (distance) C4'-P energy: -44.903
bonds (distance) P-C4' energy: -50.469
flat angles C4'-P-C4' energy: -68.923
flat angles P-C4'-P energy: -45.825
tors. eta vs tors. theta energy: -49.252
Dist. restrs. and SS energy: 6.655 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -815.620944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.620944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.895523 (E_RNA)
where:
Base-Base interactions energy: -565.159
where: short stacking energy: -209.245
Base-Backbone interact. energy: -1.961
local terms energy: -255.774605
where:
bonds (distance) C4'-P energy: -46.504
bonds (distance) P-C4' energy: -73.487
flat angles C4'-P-C4' energy: -53.939
flat angles P-C4'-P energy: -42.787
tors. eta vs tors. theta energy: -39.058
Dist. restrs. and SS energy: 7.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -1209.098903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.098903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.884180 (E_RNA)
where:
Base-Base interactions energy: -854.006
where: short stacking energy: -332.432
Base-Backbone interact. energy: -2.535
local terms energy: -355.343054
where:
bonds (distance) C4'-P energy: -67.243
bonds (distance) P-C4' energy: -66.554
flat angles C4'-P-C4' energy: -81.577
flat angles P-C4'-P energy: -52.457
tors. eta vs tors. theta energy: -87.511
Dist. restrs. and SS energy: 2.785 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -1160.657015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.657015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.478948 (E_RNA)
where:
Base-Base interactions energy: -803.136
where: short stacking energy: -337.584
Base-Backbone interact. energy: -1.608
local terms energy: -360.735488
where:
bonds (distance) C4'-P energy: -69.503
bonds (distance) P-C4' energy: -65.487
flat angles C4'-P-C4' energy: -76.019
flat angles P-C4'-P energy: -55.046
tors. eta vs tors. theta energy: -94.679
Dist. restrs. and SS energy: 4.822 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -1155.730789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.730789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.501747 (E_RNA)
where:
Base-Base interactions energy: -815.570
where: short stacking energy: -327.845
Base-Backbone interact. energy: -0.531
local terms energy: -342.401089
where:
bonds (distance) C4'-P energy: -60.112
bonds (distance) P-C4' energy: -68.630
flat angles C4'-P-C4' energy: -75.452
flat angles P-C4'-P energy: -46.144
tors. eta vs tors. theta energy: -92.062
Dist. restrs. and SS energy: 2.771 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -1129.145077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.145077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.802251 (E_RNA)
where:
Base-Base interactions energy: -806.932
where: short stacking energy: -329.716
Base-Backbone interact. energy: -0.475
local terms energy: -327.394793
where:
bonds (distance) C4'-P energy: -56.481
bonds (distance) P-C4' energy: -62.859
flat angles C4'-P-C4' energy: -70.625
flat angles P-C4'-P energy: -49.659
tors. eta vs tors. theta energy: -87.771
Dist. restrs. and SS energy: 5.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -1054.863671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.863671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.282993 (E_RNA)
where:
Base-Base interactions energy: -743.728
where: short stacking energy: -311.897
Base-Backbone interact. energy: -0.518
local terms energy: -314.036429
where:
bonds (distance) C4'-P energy: -66.792
bonds (distance) P-C4' energy: -61.849
flat angles C4'-P-C4' energy: -59.562
flat angles P-C4'-P energy: -37.802
tors. eta vs tors. theta energy: -88.032
Dist. restrs. and SS energy: 3.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -992.659213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.659213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.961277 (E_RNA)
where:
Base-Base interactions energy: -685.873
where: short stacking energy: -276.598
Base-Backbone interact. energy: -3.566
local terms energy: -306.522353
where:
bonds (distance) C4'-P energy: -55.363
bonds (distance) P-C4' energy: -55.164
flat angles C4'-P-C4' energy: -73.354
flat angles P-C4'-P energy: -42.384
tors. eta vs tors. theta energy: -80.257
Dist. restrs. and SS energy: 3.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -969.000927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.000927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.090684 (E_RNA)
where:
Base-Base interactions energy: -674.363
where: short stacking energy: -275.425
Base-Backbone interact. energy: -0.953
local terms energy: -297.774953
where:
bonds (distance) C4'-P energy: -47.662
bonds (distance) P-C4' energy: -55.256
flat angles C4'-P-C4' energy: -66.279
flat angles P-C4'-P energy: -49.249
tors. eta vs tors. theta energy: -79.329
Dist. restrs. and SS energy: 4.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -877.522985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.522985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.943539 (E_RNA)
where:
Base-Base interactions energy: -606.509
where: short stacking energy: -228.391
Base-Backbone interact. energy: 2.066
local terms energy: -278.500848
where:
bonds (distance) C4'-P energy: -70.086
bonds (distance) P-C4' energy: -56.709
flat angles C4'-P-C4' energy: -59.388
flat angles P-C4'-P energy: -38.813
tors. eta vs tors. theta energy: -53.504
Dist. restrs. and SS energy: 5.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -894.640817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.640817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.892277 (E_RNA)
where:
Base-Base interactions energy: -651.756
where: short stacking energy: -262.489
Base-Backbone interact. energy: -0.305
local terms energy: -246.831732
where:
bonds (distance) C4'-P energy: -31.201
bonds (distance) P-C4' energy: -54.870
flat angles C4'-P-C4' energy: -62.254
flat angles P-C4'-P energy: -44.065
tors. eta vs tors. theta energy: -54.442
Dist. restrs. and SS energy: 4.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -816.368878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.368878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.975372 (E_RNA)
where:
Base-Base interactions energy: -577.638
where: short stacking energy: -214.729
Base-Backbone interact. energy: -0.920
local terms energy: -242.417589
where:
bonds (distance) C4'-P energy: -48.171
bonds (distance) P-C4' energy: -46.727
flat angles C4'-P-C4' energy: -71.385
flat angles P-C4'-P energy: -34.441
tors. eta vs tors. theta energy: -41.694
Dist. restrs. and SS energy: 4.606 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -1204.230499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.230499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.951812 (E_RNA)
where:
Base-Base interactions energy: -839.554
where: short stacking energy: -325.145
Base-Backbone interact. energy: -3.130
local terms energy: -364.267981
where:
bonds (distance) C4'-P energy: -59.439
bonds (distance) P-C4' energy: -74.771
flat angles C4'-P-C4' energy: -74.416
flat angles P-C4'-P energy: -60.989
tors. eta vs tors. theta energy: -94.654
Dist. restrs. and SS energy: 2.721 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -1171.303307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.303307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.669654 (E_RNA)
where:
Base-Base interactions energy: -804.456
where: short stacking energy: -350.434
Base-Backbone interact. energy: -2.162
local terms energy: -370.051935
where:
bonds (distance) C4'-P energy: -63.857
bonds (distance) P-C4' energy: -73.023
flat angles C4'-P-C4' energy: -73.910
flat angles P-C4'-P energy: -56.569
tors. eta vs tors. theta energy: -102.694
Dist. restrs. and SS energy: 5.366 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -1110.911674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.911674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.091817 (E_RNA)
where:
Base-Base interactions energy: -779.030
where: short stacking energy: -313.791
Base-Backbone interact. energy: -3.268
local terms energy: -331.793814
where:
bonds (distance) C4'-P energy: -60.527
bonds (distance) P-C4' energy: -60.705
flat angles C4'-P-C4' energy: -74.685
flat angles P-C4'-P energy: -52.429
tors. eta vs tors. theta energy: -83.448
Dist. restrs. and SS energy: 3.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -1106.565137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.565137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.409880 (E_RNA)
where:
Base-Base interactions energy: -792.231
where: short stacking energy: -326.974
Base-Backbone interact. energy: 1.916
local terms energy: -322.094696
where:
bonds (distance) C4'-P energy: -52.935
bonds (distance) P-C4' energy: -65.088
flat angles C4'-P-C4' energy: -63.081
flat angles P-C4'-P energy: -44.768
tors. eta vs tors. theta energy: -96.223
Dist. restrs. and SS energy: 5.845 (S_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: 399
Temperature: 1.100000
Total energy: -1025.082229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.082229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.702775 (E_RNA)
where:
Base-Base interactions energy: -701.161
where: short stacking energy: -274.642
Base-Backbone interact. energy: 0.009
local terms energy: -327.550654
where:
bonds (distance) C4'-P energy: -64.575
bonds (distance) P-C4' energy: -67.245
flat angles C4'-P-C4' energy: -73.879
flat angles P-C4'-P energy: -48.458
tors. eta vs tors. theta energy: -73.394
Dist. restrs. and SS energy: 3.621 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -999.888105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.888105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.924716 (E_RNA)
where:
Base-Base interactions energy: -704.585
where: short stacking energy: -278.181
Base-Backbone interact. energy: -0.926
local terms energy: -298.413921
where:
bonds (distance) C4'-P energy: -51.693
bonds (distance) P-C4' energy: -60.693
flat angles C4'-P-C4' energy: -65.716
flat angles P-C4'-P energy: -52.295
tors. eta vs tors. theta energy: -68.017
Dist. restrs. and SS energy: 4.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -976.328069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.328069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.188796 (E_RNA)
where:
Base-Base interactions energy: -682.137
where: short stacking energy: -273.919
Base-Backbone interact. energy: -1.018
local terms energy: -297.033368
where:
bonds (distance) C4'-P energy: -48.460
bonds (distance) P-C4' energy: -50.884
flat angles C4'-P-C4' energy: -72.570
flat angles P-C4'-P energy: -46.345
tors. eta vs tors. theta energy: -78.774
Dist. restrs. and SS energy: 3.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -894.838382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.838382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.577568 (E_RNA)
where:
Base-Base interactions energy: -627.266
where: short stacking energy: -227.424
Base-Backbone interact. energy: -1.785
local terms energy: -270.526041
where:
bonds (distance) C4'-P energy: -60.031
bonds (distance) P-C4' energy: -60.806
flat angles C4'-P-C4' energy: -58.178
flat angles P-C4'-P energy: -40.115
tors. eta vs tors. theta energy: -51.395
Dist. restrs. and SS energy: 4.739 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -867.193762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.193762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.838044 (E_RNA)
where:
Base-Base interactions energy: -603.727
where: short stacking energy: -242.015
Base-Backbone interact. energy: -0.716
local terms energy: -266.395739
where:
bonds (distance) C4'-P energy: -63.143
bonds (distance) P-C4' energy: -49.089
flat angles C4'-P-C4' energy: -59.052
flat angles P-C4'-P energy: -34.883
tors. eta vs tors. theta energy: -60.229
Dist. restrs. and SS energy: 3.644 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -823.294985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.294985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.931508 (E_RNA)
where:
Base-Base interactions energy: -583.760
where: short stacking energy: -220.669
Base-Backbone interact. energy: -1.724
local terms energy: -241.446881
where:
bonds (distance) C4'-P energy: -64.421
bonds (distance) P-C4' energy: -38.484
flat angles C4'-P-C4' energy: -65.754
flat angles P-C4'-P energy: -22.936
tors. eta vs tors. theta energy: -49.852
Dist. restrs. and SS energy: 3.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -1220.048781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.048781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.219316 (E_RNA)
where:
Base-Base interactions energy: -865.615
where: short stacking energy: -341.242
Base-Backbone interact. energy: -3.320
local terms energy: -354.284389
where:
bonds (distance) C4'-P energy: -77.732
bonds (distance) P-C4' energy: -60.673
flat angles C4'-P-C4' energy: -72.488
flat angles P-C4'-P energy: -49.254
tors. eta vs tors. theta energy: -94.137
Dist. restrs. and SS energy: 3.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -1157.437734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.437734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.689207 (E_RNA)
where:
Base-Base interactions energy: -797.134
where: short stacking energy: -337.403
Base-Backbone interact. energy: 0.139
local terms energy: -363.693584
where:
bonds (distance) C4'-P energy: -66.819
bonds (distance) P-C4' energy: -64.652
flat angles C4'-P-C4' energy: -82.136
flat angles P-C4'-P energy: -51.904
tors. eta vs tors. theta energy: -98.182
Dist. restrs. and SS energy: 3.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -1091.994320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.994320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.412512 (E_RNA)
where:
Base-Base interactions energy: -778.243
where: short stacking energy: -310.733
Base-Backbone interact. energy: -1.634
local terms energy: -315.535138
where:
bonds (distance) C4'-P energy: -57.150
bonds (distance) P-C4' energy: -59.850
flat angles C4'-P-C4' energy: -68.924
flat angles P-C4'-P energy: -45.434
tors. eta vs tors. theta energy: -84.178
Dist. restrs. and SS energy: 3.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -1109.819587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.819587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.407024 (E_RNA)
where:
Base-Base interactions energy: -754.521
where: short stacking energy: -313.931
Base-Backbone interact. energy: -1.986
local terms energy: -360.900668
where:
bonds (distance) C4'-P energy: -65.741
bonds (distance) P-C4' energy: -68.452
flat angles C4'-P-C4' energy: -74.944
flat angles P-C4'-P energy: -54.421
tors. eta vs tors. theta energy: -97.343
Dist. restrs. and SS energy: 7.587 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -1060.216577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.216577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.000045 (E_RNA)
where:
Base-Base interactions energy: -737.489
where: short stacking energy: -298.950
Base-Backbone interact. energy: -1.937
local terms energy: -324.574144
where:
bonds (distance) C4'-P energy: -61.242
bonds (distance) P-C4' energy: -53.935
flat angles C4'-P-C4' energy: -69.953
flat angles P-C4'-P energy: -56.937
tors. eta vs tors. theta energy: -82.507
Dist. restrs. and SS energy: 3.783 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -989.214898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.214898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.062234 (E_RNA)
where:
Base-Base interactions energy: -710.676
where: short stacking energy: -276.954
Base-Backbone interact. energy: -0.702
local terms energy: -281.684924
where:
bonds (distance) C4'-P energy: -49.440
bonds (distance) P-C4' energy: -53.166
flat angles C4'-P-C4' energy: -69.778
flat angles P-C4'-P energy: -39.993
tors. eta vs tors. theta energy: -69.307
Dist. restrs. and SS energy: 3.847 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -976.584510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.584510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.403045 (E_RNA)
where:
Base-Base interactions energy: -693.377
where: short stacking energy: -276.148
Base-Backbone interact. energy: -0.233
local terms energy: -286.793174
where:
bonds (distance) C4'-P energy: -62.862
bonds (distance) P-C4' energy: -52.929
flat angles C4'-P-C4' energy: -72.585
flat angles P-C4'-P energy: -36.145
tors. eta vs tors. theta energy: -62.273
Dist. restrs. and SS energy: 3.819 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -892.222974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.222974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.060132 (E_RNA)
where:
Base-Base interactions energy: -621.127
where: short stacking energy: -246.611
Base-Backbone interact. energy: 4.196
local terms energy: -280.129219
where:
bonds (distance) C4'-P energy: -71.474
bonds (distance) P-C4' energy: -48.641
flat angles C4'-P-C4' energy: -53.384
flat angles P-C4'-P energy: -50.011
tors. eta vs tors. theta energy: -56.619
Dist. restrs. and SS energy: 4.837 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -874.367527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.367527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.831575 (E_RNA)
where:
Base-Base interactions energy: -637.548
where: short stacking energy: -244.833
Base-Backbone interact. energy: 1.375
local terms energy: -243.659327
where:
bonds (distance) C4'-P energy: -48.745
bonds (distance) P-C4' energy: -47.634
flat angles C4'-P-C4' energy: -59.398
flat angles P-C4'-P energy: -27.589
tors. eta vs tors. theta energy: -60.294
Dist. restrs. and SS energy: 5.464 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -781.759625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.759625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.442955 (E_RNA)
where:
Base-Base interactions energy: -559.675
where: short stacking energy: -215.430
Base-Backbone interact. energy: 4.393
local terms energy: -231.160985
where:
bonds (distance) C4'-P energy: -49.173
bonds (distance) P-C4' energy: -43.591
flat angles C4'-P-C4' energy: -62.188
flat angles P-C4'-P energy: -27.769
tors. eta vs tors. theta energy: -48.439
Dist. restrs. and SS energy: 4.683 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -1225.730502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.730502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.125129 (E_RNA)
where:
Base-Base interactions energy: -873.522
where: short stacking energy: -357.662
Base-Backbone interact. energy: -0.650
local terms energy: -356.952797
where:
bonds (distance) C4'-P energy: -66.734
bonds (distance) P-C4' energy: -68.599
flat angles C4'-P-C4' energy: -71.907
flat angles P-C4'-P energy: -50.190
tors. eta vs tors. theta energy: -99.523
Dist. restrs. and SS energy: 5.395 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -1152.070542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.070542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.712046 (E_RNA)
where:
Base-Base interactions energy: -814.740
where: short stacking energy: -348.340
Base-Backbone interact. energy: 0.271
local terms energy: -341.242656
where:
bonds (distance) C4'-P energy: -70.295
bonds (distance) P-C4' energy: -60.865
flat angles C4'-P-C4' energy: -74.502
flat angles P-C4'-P energy: -42.145
tors. eta vs tors. theta energy: -93.436
Dist. restrs. and SS energy: 3.642 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -1130.773500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.773500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.762819 (E_RNA)
where:
Base-Base interactions energy: -774.438
where: short stacking energy: -308.421
Base-Backbone interact. energy: -2.968
local terms energy: -356.356895
where:
bonds (distance) C4'-P energy: -61.327
bonds (distance) P-C4' energy: -70.226
flat angles C4'-P-C4' energy: -74.725
flat angles P-C4'-P energy: -58.997
tors. eta vs tors. theta energy: -91.083
Dist. restrs. and SS energy: 2.989 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -1122.153547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.153547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.320171 (E_RNA)
where:
Base-Base interactions energy: -804.984
where: short stacking energy: -313.750
Base-Backbone interact. energy: -0.987
local terms energy: -323.349624
where:
bonds (distance) C4'-P energy: -59.488
bonds (distance) P-C4' energy: -66.271
flat angles C4'-P-C4' energy: -69.763
flat angles P-C4'-P energy: -43.194
tors. eta vs tors. theta energy: -84.633
Dist. restrs. and SS energy: 7.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -1041.555422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.555422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.693517 (E_RNA)
where:
Base-Base interactions energy: -724.834
where: short stacking energy: -279.606
Base-Backbone interact. energy: -2.374
local terms energy: -317.485188
where:
bonds (distance) C4'-P energy: -60.741
bonds (distance) P-C4' energy: -63.589
flat angles C4'-P-C4' energy: -72.008
flat angles P-C4'-P energy: -38.807
tors. eta vs tors. theta energy: -82.341
Dist. restrs. and SS energy: 3.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -1024.652151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.652151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.466615 (E_RNA)
where:
Base-Base interactions energy: -724.841
where: short stacking energy: -279.480
Base-Backbone interact. energy: -1.046
local terms energy: -302.579158
where:
bonds (distance) C4'-P energy: -52.551
bonds (distance) P-C4' energy: -71.186
flat angles C4'-P-C4' energy: -64.810
flat angles P-C4'-P energy: -43.482
tors. eta vs tors. theta energy: -70.552
Dist. restrs. and SS energy: 3.814 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -942.242784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.242784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.098082 (E_RNA)
where:
Base-Base interactions energy: -657.770
where: short stacking energy: -273.184
Base-Backbone interact. energy: -1.972
local terms energy: -289.356338
where:
bonds (distance) C4'-P energy: -62.135
bonds (distance) P-C4' energy: -63.222
flat angles C4'-P-C4' energy: -59.885
flat angles P-C4'-P energy: -36.223
tors. eta vs tors. theta energy: -67.891
Dist. restrs. and SS energy: 6.855 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -880.813510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.813510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.654162 (E_RNA)
where:
Base-Base interactions energy: -612.491
where: short stacking energy: -258.615
Base-Backbone interact. energy: 0.005
local terms energy: -272.168247
where:
bonds (distance) C4'-P energy: -47.773
bonds (distance) P-C4' energy: -61.311
flat angles C4'-P-C4' energy: -64.279
flat angles P-C4'-P energy: -38.989
tors. eta vs tors. theta energy: -59.816
Dist. restrs. and SS energy: 3.841 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -846.634958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.634958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.967247 (E_RNA)
where:
Base-Base interactions energy: -607.324
where: short stacking energy: -226.412
Base-Backbone interact. energy: -0.644
local terms energy: -241.998850
where:
bonds (distance) C4'-P energy: -48.856
bonds (distance) P-C4' energy: -51.483
flat angles C4'-P-C4' energy: -64.097
flat angles P-C4'-P energy: -34.705
tors. eta vs tors. theta energy: -42.858
Dist. restrs. and SS energy: 3.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -811.031349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.031349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.560537 (E_RNA)
where:
Base-Base interactions energy: -576.780
where: short stacking energy: -208.639
Base-Backbone interact. energy: 0.549
local terms energy: -240.328882
where:
bonds (distance) C4'-P energy: -47.017
bonds (distance) P-C4' energy: -59.245
flat angles C4'-P-C4' energy: -55.920
flat angles P-C4'-P energy: -38.550
tors. eta vs tors. theta energy: -39.597
Dist. restrs. and SS energy: 5.529 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -1202.058895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.058895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.187228 (E_RNA)
where:
Base-Base interactions energy: -852.297
where: short stacking energy: -355.272
Base-Backbone interact. energy: -1.083
local terms energy: -351.807286
where:
bonds (distance) C4'-P energy: -64.525
bonds (distance) P-C4' energy: -56.307
flat angles C4'-P-C4' energy: -81.200
flat angles P-C4'-P energy: -49.789
tors. eta vs tors. theta energy: -99.986
Dist. restrs. and SS energy: 3.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -1169.245503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.245503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.905583 (E_RNA)
where:
Base-Base interactions energy: -840.243
where: short stacking energy: -332.102
Base-Backbone interact. energy: -1.154
local terms energy: -331.508384
where:
bonds (distance) C4'-P energy: -55.847
bonds (distance) P-C4' energy: -69.570
flat angles C4'-P-C4' energy: -71.358
flat angles P-C4'-P energy: -44.064
tors. eta vs tors. theta energy: -90.669
Dist. restrs. and SS energy: 3.660 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -1136.133300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.133300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.487780 (E_RNA)
where:
Base-Base interactions energy: -803.409
where: short stacking energy: -329.227
Base-Backbone interact. energy: 1.369
local terms energy: -339.447448
where:
bonds (distance) C4'-P energy: -65.784
bonds (distance) P-C4' energy: -61.399
flat angles C4'-P-C4' energy: -75.350
flat angles P-C4'-P energy: -41.576
tors. eta vs tors. theta energy: -95.339
Dist. restrs. and SS energy: 5.354 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -1076.862737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.862737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.180446 (E_RNA)
where:
Base-Base interactions energy: -737.833
where: short stacking energy: -293.758
Base-Backbone interact. energy: -2.729
local terms energy: -339.618521
where:
bonds (distance) C4'-P energy: -64.441
bonds (distance) P-C4' energy: -67.020
flat angles C4'-P-C4' energy: -71.946
flat angles P-C4'-P energy: -48.549
tors. eta vs tors. theta energy: -87.662
Dist. restrs. and SS energy: 3.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -1027.808323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.808323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.493826 (E_RNA)
where:
Base-Base interactions energy: -716.916
where: short stacking energy: -298.773
Base-Backbone interact. energy: -0.764
local terms energy: -313.813733
where:
bonds (distance) C4'-P energy: -58.611
bonds (distance) P-C4' energy: -64.581
flat angles C4'-P-C4' energy: -67.247
flat angles P-C4'-P energy: -45.825
tors. eta vs tors. theta energy: -77.549
Dist. restrs. and SS energy: 3.686 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -1028.546966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.546966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.891978 (E_RNA)
where:
Base-Base interactions energy: -711.444
where: short stacking energy: -282.860
Base-Backbone interact. energy: -0.356
local terms energy: -320.091520
where:
bonds (distance) C4'-P energy: -58.442
bonds (distance) P-C4' energy: -67.209
flat angles C4'-P-C4' energy: -64.411
flat angles P-C4'-P energy: -47.421
tors. eta vs tors. theta energy: -82.608
Dist. restrs. and SS energy: 3.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -925.108024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.108024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.035169 (E_RNA)
where:
Base-Base interactions energy: -651.191
where: short stacking energy: -250.966
Base-Backbone interact. energy: -1.323
local terms energy: -276.521246
where:
bonds (distance) C4'-P energy: -68.080
bonds (distance) P-C4' energy: -61.992
flat angles C4'-P-C4' energy: -62.706
flat angles P-C4'-P energy: -33.594
tors. eta vs tors. theta energy: -50.149
Dist. restrs. and SS energy: 3.927 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -863.097296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.097296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.382329 (E_RNA)
where:
Base-Base interactions energy: -611.356
where: short stacking energy: -231.979
Base-Backbone interact. energy: 1.123
local terms energy: -259.149040
where:
bonds (distance) C4'-P energy: -60.479
bonds (distance) P-C4' energy: -53.267
flat angles C4'-P-C4' energy: -47.413
flat angles P-C4'-P energy: -40.500
tors. eta vs tors. theta energy: -57.489
Dist. restrs. and SS energy: 6.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -864.701007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.701007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.422521 (E_RNA)
where:
Base-Base interactions energy: -611.352
where: short stacking energy: -233.685
Base-Backbone interact. energy: 3.333
local terms energy: -266.402946
where:
bonds (distance) C4'-P energy: -51.207
bonds (distance) P-C4' energy: -55.444
flat angles C4'-P-C4' energy: -68.545
flat angles P-C4'-P energy: -33.576
tors. eta vs tors. theta energy: -57.631
Dist. restrs. and SS energy: 9.722 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -820.648539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.648539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.734040 (E_RNA)
where:
Base-Base interactions energy: -607.481
where: short stacking energy: -224.169
Base-Backbone interact. energy: 1.028
local terms energy: -222.281290
where:
bonds (distance) C4'-P energy: -48.271
bonds (distance) P-C4' energy: -55.490
flat angles C4'-P-C4' energy: -42.934
flat angles P-C4'-P energy: -29.614
tors. eta vs tors. theta energy: -45.971
Dist. restrs. and SS energy: 8.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -1215.423548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.423548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.727051 (E_RNA)
where:
Base-Base interactions energy: -845.613
where: short stacking energy: -345.337
Base-Backbone interact. energy: -1.948
local terms energy: -371.165588
where:
bonds (distance) C4'-P energy: -78.129
bonds (distance) P-C4' energy: -72.177
flat angles C4'-P-C4' energy: -66.496
flat angles P-C4'-P energy: -54.642
tors. eta vs tors. theta energy: -99.722
Dist. restrs. and SS energy: 3.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -1183.012137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.012137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.070530 (E_RNA)
where:
Base-Base interactions energy: -828.783
where: short stacking energy: -317.037
Base-Backbone interact. energy: -1.838
local terms energy: -357.450066
where:
bonds (distance) C4'-P energy: -61.335
bonds (distance) P-C4' energy: -78.672
flat angles C4'-P-C4' energy: -77.033
flat angles P-C4'-P energy: -51.861
tors. eta vs tors. theta energy: -88.549
Dist. restrs. and SS energy: 5.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -1114.696368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.696368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.691716 (E_RNA)
where:
Base-Base interactions energy: -785.214
where: short stacking energy: -314.439
Base-Backbone interact. energy: -3.553
local terms energy: -331.924255
where:
bonds (distance) C4'-P energy: -51.817
bonds (distance) P-C4' energy: -74.377
flat angles C4'-P-C4' energy: -62.475
flat angles P-C4'-P energy: -55.141
tors. eta vs tors. theta energy: -88.114
Dist. restrs. and SS energy: 5.995 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -1068.853047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.853047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.421668 (E_RNA)
where:
Base-Base interactions energy: -750.863
where: short stacking energy: -309.472
Base-Backbone interact. energy: -0.271
local terms energy: -320.286825
where:
bonds (distance) C4'-P energy: -58.992
bonds (distance) P-C4' energy: -58.953
flat angles C4'-P-C4' energy: -67.849
flat angles P-C4'-P energy: -51.400
tors. eta vs tors. theta energy: -83.092
Dist. restrs. and SS energy: 2.569 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -1039.860798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.860798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.624979 (E_RNA)
where:
Base-Base interactions energy: -733.566
where: short stacking energy: -302.177
Base-Backbone interact. energy: 2.528
local terms energy: -313.586977
where:
bonds (distance) C4'-P energy: -58.665
bonds (distance) P-C4' energy: -61.809
flat angles C4'-P-C4' energy: -78.834
flat angles P-C4'-P energy: -38.445
tors. eta vs tors. theta energy: -75.834
Dist. restrs. and SS energy: 4.764 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -1008.202795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.202795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.186193 (E_RNA)
where:
Base-Base interactions energy: -688.919
where: short stacking energy: -285.779
Base-Backbone interact. energy: -1.627
local terms energy: -322.639711
where:
bonds (distance) C4'-P energy: -64.605
bonds (distance) P-C4' energy: -62.377
flat angles C4'-P-C4' energy: -63.120
flat angles P-C4'-P energy: -49.541
tors. eta vs tors. theta energy: -82.997
Dist. restrs. and SS energy: 4.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -913.099121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.099121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.879467 (E_RNA)
where:
Base-Base interactions energy: -634.986
where: short stacking energy: -255.582
Base-Backbone interact. energy: 0.586
local terms energy: -282.479196
where:
bonds (distance) C4'-P energy: -44.615
bonds (distance) P-C4' energy: -67.722
flat angles C4'-P-C4' energy: -69.065
flat angles P-C4'-P energy: -41.065
tors. eta vs tors. theta energy: -60.011
Dist. restrs. and SS energy: 3.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -872.032912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.032912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.988396 (E_RNA)
where:
Base-Base interactions energy: -644.135
where: short stacking energy: -254.933
Base-Backbone interact. energy: -0.316
local terms energy: -236.537858
where:
bonds (distance) C4'-P energy: -42.424
bonds (distance) P-C4' energy: -45.559
flat angles C4'-P-C4' energy: -50.628
flat angles P-C4'-P energy: -42.253
tors. eta vs tors. theta energy: -55.675
Dist. restrs. and SS energy: 8.955 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -847.241982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.241982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.300039 (E_RNA)
where:
Base-Base interactions energy: -618.390
where: short stacking energy: -246.403
Base-Backbone interact. energy: 0.147
local terms energy: -247.056967
where:
bonds (distance) C4'-P energy: -53.793
bonds (distance) P-C4' energy: -54.107
flat angles C4'-P-C4' energy: -52.593
flat angles P-C4'-P energy: -38.245
tors. eta vs tors. theta energy: -48.320
Dist. restrs. and SS energy: 18.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -844.577393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.577393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.110596 (E_RNA)
where:
Base-Base interactions energy: -594.988
where: short stacking energy: -239.565
Base-Backbone interact. energy: 7.190
local terms energy: -264.312201
where:
bonds (distance) C4'-P energy: -61.773
bonds (distance) P-C4' energy: -52.224
flat angles C4'-P-C4' energy: -53.870
flat angles P-C4'-P energy: -37.434
tors. eta vs tors. theta energy: -59.011
Dist. restrs. and SS energy: 7.533 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -1213.569580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.569580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.324321 (E_RNA)
where:
Base-Base interactions energy: -847.074
where: short stacking energy: -338.669
Base-Backbone interact. energy: -2.702
local terms energy: -367.547822
where:
bonds (distance) C4'-P energy: -72.189
bonds (distance) P-C4' energy: -65.788
flat angles C4'-P-C4' energy: -85.644
flat angles P-C4'-P energy: -46.798
tors. eta vs tors. theta energy: -97.129
Dist. restrs. and SS energy: 3.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -1182.374559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.374559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.711849 (E_RNA)
where:
Base-Base interactions energy: -829.161
where: short stacking energy: -348.727
Base-Backbone interact. energy: -1.175
local terms energy: -355.375657
where:
bonds (distance) C4'-P energy: -65.272
bonds (distance) P-C4' energy: -66.310
flat angles C4'-P-C4' energy: -68.525
flat angles P-C4'-P energy: -53.093
tors. eta vs tors. theta energy: -102.177
Dist. restrs. and SS energy: 3.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -1113.371668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.371668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.454529 (E_RNA)
where:
Base-Base interactions energy: -759.190
where: short stacking energy: -309.239
Base-Backbone interact. energy: -1.128
local terms energy: -356.136206
where:
bonds (distance) C4'-P energy: -76.607
bonds (distance) P-C4' energy: -62.298
flat angles C4'-P-C4' energy: -69.452
flat angles P-C4'-P energy: -52.252
tors. eta vs tors. theta energy: -95.527
Dist. restrs. and SS energy: 3.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -1078.790755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.790755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.970412 (E_RNA)
where:
Base-Base interactions energy: -768.863
where: short stacking energy: -314.361
Base-Backbone interact. energy: -1.412
local terms energy: -314.695216
where:
bonds (distance) C4'-P energy: -68.593
bonds (distance) P-C4' energy: -54.532
flat angles C4'-P-C4' energy: -63.321
flat angles P-C4'-P energy: -35.174
tors. eta vs tors. theta energy: -93.075
Dist. restrs. and SS energy: 6.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -1009.587464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.587464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.362475 (E_RNA)
where:
Base-Base interactions energy: -706.164
where: short stacking energy: -278.181
Base-Backbone interact. energy: -2.075
local terms energy: -305.123555
where:
bonds (distance) C4'-P energy: -55.480
bonds (distance) P-C4' energy: -67.848
flat angles C4'-P-C4' energy: -67.948
flat angles P-C4'-P energy: -41.915
tors. eta vs tors. theta energy: -71.932
Dist. restrs. and SS energy: 3.775 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -996.659656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.659656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.210879 (E_RNA)
where:
Base-Base interactions energy: -673.445
where: short stacking energy: -277.705
Base-Backbone interact. energy: -0.859
local terms energy: -325.907004
where:
bonds (distance) C4'-P energy: -60.546
bonds (distance) P-C4' energy: -62.780
flat angles C4'-P-C4' energy: -67.893
flat angles P-C4'-P energy: -49.884
tors. eta vs tors. theta energy: -84.805
Dist. restrs. and SS energy: 3.551 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -912.603257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.603257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.257221 (E_RNA)
where:
Base-Base interactions energy: -643.765
where: short stacking energy: -250.116
Base-Backbone interact. energy: -0.615
local terms energy: -272.877799
where:
bonds (distance) C4'-P energy: -61.906
bonds (distance) P-C4' energy: -61.557
flat angles C4'-P-C4' energy: -65.746
flat angles P-C4'-P energy: -31.995
tors. eta vs tors. theta energy: -51.674
Dist. restrs. and SS energy: 4.654 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -885.921750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.921750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.926870 (E_RNA)
where:
Base-Base interactions energy: -622.381
where: short stacking energy: -242.114
Base-Backbone interact. energy: -1.489
local terms energy: -272.056884
where:
bonds (distance) C4'-P energy: -62.237
bonds (distance) P-C4' energy: -47.914
flat angles C4'-P-C4' energy: -67.317
flat angles P-C4'-P energy: -30.312
tors. eta vs tors. theta energy: -64.277
Dist. restrs. and SS energy: 10.005 (S_DIST_RNA)
chem. 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: -880.737739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.737739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.683395 (E_RNA)
where:
Base-Base interactions energy: -592.860
where: short stacking energy: -261.850
Base-Backbone interact. energy: 0.773
local terms energy: -293.596355
where:
bonds (distance) C4'-P energy: -68.886
bonds (distance) P-C4' energy: -63.808
flat angles C4'-P-C4' energy: -63.423
flat angles P-C4'-P energy: -37.810
tors. eta vs tors. theta energy: -59.670
Dist. restrs. and SS energy: 4.946 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -797.646775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.646775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.571468 (E_RNA)
where:
Base-Base interactions energy: -569.176
where: short stacking energy: -212.724
Base-Backbone interact. energy: -1.491
local terms energy: -240.904077
where:
bonds (distance) C4'-P energy: -62.798
bonds (distance) P-C4' energy: -49.382
flat angles C4'-P-C4' energy: -44.259
flat angles P-C4'-P energy: -34.483
tors. eta vs tors. theta energy: -49.981
Dist. restrs. and SS energy: 13.925 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -1216.273789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.273789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.968052 (E_RNA)
where:
Base-Base interactions energy: -874.085
where: short stacking energy: -331.096
Base-Backbone interact. energy: -3.385
local terms energy: -342.498521
where:
bonds (distance) C4'-P energy: -68.734
bonds (distance) P-C4' energy: -57.095
flat angles C4'-P-C4' energy: -76.747
flat angles P-C4'-P energy: -47.852
tors. eta vs tors. theta energy: -92.071
Dist. restrs. and SS energy: 3.694 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -1196.597442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.597442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.977681 (E_RNA)
where:
Base-Base interactions energy: -815.340
where: short stacking energy: -340.015
Base-Backbone interact. energy: 0.262
local terms energy: -384.899541
where:
bonds (distance) C4'-P energy: -72.591
bonds (distance) P-C4' energy: -65.882
flat angles C4'-P-C4' energy: -79.139
flat angles P-C4'-P energy: -60.067
tors. eta vs tors. theta energy: -107.220
Dist. restrs. and SS energy: 3.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -1135.763989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.763989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.159908 (E_RNA)
where:
Base-Base interactions energy: -813.132
where: short stacking energy: -331.984
Base-Backbone interact. energy: -0.434
local terms energy: -326.593644
where:
bonds (distance) C4'-P energy: -54.952
bonds (distance) P-C4' energy: -55.048
flat angles C4'-P-C4' energy: -72.882
flat angles P-C4'-P energy: -46.343
tors. eta vs tors. theta energy: -97.370
Dist. restrs. and SS energy: 4.396 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -1110.930584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.930584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.028768 (E_RNA)
where:
Base-Base interactions energy: -772.336
where: short stacking energy: -307.928
Base-Backbone interact. energy: -4.647
local terms energy: -341.045980
where:
bonds (distance) C4'-P energy: -59.804
bonds (distance) P-C4' energy: -71.272
flat angles C4'-P-C4' energy: -74.197
flat angles P-C4'-P energy: -48.600
tors. eta vs tors. theta energy: -87.173
Dist. restrs. and SS energy: 7.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -1074.645740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.645740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.727733 (E_RNA)
where:
Base-Base interactions energy: -756.387
where: short stacking energy: -306.235
Base-Backbone interact. energy: -3.529
local terms energy: -318.811488
where:
bonds (distance) C4'-P energy: -60.499
bonds (distance) P-C4' energy: -54.298
flat angles C4'-P-C4' energy: -65.405
flat angles P-C4'-P energy: -52.000
tors. eta vs tors. theta energy: -86.609
Dist. restrs. and SS energy: 4.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -964.356627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.356627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.443293 (E_RNA)
where:
Base-Base interactions energy: -642.135
where: short stacking energy: -261.442
Base-Backbone interact. energy: -2.651
local terms energy: -324.657613
where:
bonds (distance) C4'-P energy: -63.945
bonds (distance) P-C4' energy: -67.745
flat angles C4'-P-C4' energy: -73.354
flat angles P-C4'-P energy: -42.115
tors. eta vs tors. theta energy: -77.499
Dist. restrs. and SS energy: 5.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -951.829766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.829766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.327286 (E_RNA)
where:
Base-Base interactions energy: -670.973
where: short stacking energy: -259.013
Base-Backbone interact. energy: -1.013
local terms energy: -282.340741
where:
bonds (distance) C4'-P energy: -57.259
bonds (distance) P-C4' energy: -59.004
flat angles C4'-P-C4' energy: -57.094
flat angles P-C4'-P energy: -42.178
tors. eta vs tors. theta energy: -66.806
Dist. restrs. and SS energy: 2.498 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -892.435932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.435932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.812589 (E_RNA)
where:
Base-Base interactions energy: -626.736
where: short stacking energy: -264.729
Base-Backbone interact. energy: -0.236
local terms energy: -270.840548
where:
bonds (distance) C4'-P energy: -41.622
bonds (distance) P-C4' energy: -64.756
flat angles C4'-P-C4' energy: -69.154
flat angles P-C4'-P energy: -38.853
tors. eta vs tors. theta energy: -56.455
Dist. restrs. and SS energy: 5.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -863.537491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.537491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.644500 (E_RNA)
where:
Base-Base interactions energy: -615.180
where: short stacking energy: -248.133
Base-Backbone interact. energy: -0.360
local terms energy: -260.104234
where:
bonds (distance) C4'-P energy: -57.490
bonds (distance) P-C4' energy: -58.308
flat angles C4'-P-C4' energy: -43.018
flat angles P-C4'-P energy: -37.410
tors. eta vs tors. theta energy: -63.878
Dist. restrs. and SS energy: 12.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -810.895440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.895440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.583689 (E_RNA)
where:
Base-Base interactions energy: -572.961
where: short stacking energy: -234.753
Base-Backbone interact. energy: -0.647
local terms energy: -248.975461
where:
bonds (distance) C4'-P energy: -44.245
bonds (distance) P-C4' energy: -57.369
flat angles C4'-P-C4' energy: -50.158
flat angles P-C4'-P energy: -42.618
tors. eta vs tors. theta energy: -54.584
Dist. restrs. and SS energy: 11.688 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -1211.640150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.640150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.612384 (E_RNA)
where:
Base-Base interactions energy: -842.761
where: short stacking energy: -365.255
Base-Backbone interact. energy: -1.878
local terms energy: -369.973296
where:
bonds (distance) C4'-P energy: -67.618
bonds (distance) P-C4' energy: -61.724
flat angles C4'-P-C4' energy: -74.512
flat angles P-C4'-P energy: -58.393
tors. eta vs tors. theta energy: -107.727
Dist. restrs. and SS energy: 2.972 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -1202.096367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.096367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.173432 (E_RNA)
where:
Base-Base interactions energy: -849.572
where: short stacking energy: -326.417
Base-Backbone interact. energy: -4.435
local terms energy: -351.165821
where:
bonds (distance) C4'-P energy: -62.289
bonds (distance) P-C4' energy: -63.614
flat angles C4'-P-C4' energy: -79.538
flat angles P-C4'-P energy: -52.877
tors. eta vs tors. theta energy: -92.848
Dist. restrs. and SS energy: 3.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -1132.303914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.303914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.238631 (E_RNA)
where:
Base-Base interactions energy: -794.777
where: short stacking energy: -309.269
Base-Backbone interact. energy: -1.484
local terms energy: -338.977733
where:
bonds (distance) C4'-P energy: -63.805
bonds (distance) P-C4' energy: -65.678
flat angles C4'-P-C4' energy: -75.062
flat angles P-C4'-P energy: -46.802
tors. eta vs tors. theta energy: -87.631
Dist. restrs. and SS energy: 2.935 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -1092.230660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.230660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.615832 (E_RNA)
where:
Base-Base interactions energy: -761.617
where: short stacking energy: -300.540
Base-Backbone interact. energy: -2.349
local terms energy: -334.649406
where:
bonds (distance) C4'-P energy: -55.268
bonds (distance) P-C4' energy: -68.867
flat angles C4'-P-C4' energy: -73.553
flat angles P-C4'-P energy: -55.921
tors. eta vs tors. theta energy: -81.039
Dist. restrs. and SS energy: 6.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -1076.782978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.782978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.261140 (E_RNA)
where:
Base-Base interactions energy: -759.277
where: short stacking energy: -293.213
Base-Backbone interact. energy: -2.330
local terms energy: -317.654509
where:
bonds (distance) C4'-P energy: -65.529
bonds (distance) P-C4' energy: -70.847
flat angles C4'-P-C4' energy: -58.314
flat angles P-C4'-P energy: -42.215
tors. eta vs tors. theta energy: -80.748
Dist. restrs. and SS energy: 2.478 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -926.938959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.938959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.140308 (E_RNA)
where:
Base-Base interactions energy: -625.675
where: short stacking energy: -257.215
Base-Backbone interact. energy: 0.063
local terms energy: -307.528112
where:
bonds (distance) C4'-P energy: -62.962
bonds (distance) P-C4' energy: -67.779
flat angles C4'-P-C4' energy: -68.485
flat angles P-C4'-P energy: -46.410
tors. eta vs tors. theta energy: -61.892
Dist. restrs. and SS energy: 6.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -998.009950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.009950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.454514 (E_RNA)
where:
Base-Base interactions energy: -703.736
where: short stacking energy: -275.778
Base-Backbone interact. energy: -2.201
local terms energy: -297.516677
where:
bonds (distance) C4'-P energy: -58.840
bonds (distance) P-C4' energy: -65.600
flat angles C4'-P-C4' energy: -50.956
flat angles P-C4'-P energy: -40.205
tors. eta vs tors. theta energy: -81.916
Dist. restrs. and SS energy: 5.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -901.833142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.833142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.759461 (E_RNA)
where:
Base-Base interactions energy: -641.110
where: short stacking energy: -247.917
Base-Backbone interact. energy: -1.766
local terms energy: -262.883293
where:
bonds (distance) C4'-P energy: -59.203
bonds (distance) P-C4' energy: -55.183
flat angles C4'-P-C4' energy: -54.736
flat angles P-C4'-P energy: -37.078
tors. eta vs tors. theta energy: -56.682
Dist. restrs. and SS energy: 3.926 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -862.943137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.943137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.131898 (E_RNA)
where:
Base-Base interactions energy: -598.572
where: short stacking energy: -243.308
Base-Backbone interact. energy: -0.295
local terms energy: -268.264386
where:
bonds (distance) C4'-P energy: -53.694
bonds (distance) P-C4' energy: -62.677
flat angles C4'-P-C4' energy: -65.657
flat angles P-C4'-P energy: -32.975
tors. eta vs tors. theta energy: -53.261
Dist. restrs. and SS energy: 4.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -829.606464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.606464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.658183 (E_RNA)
where:
Base-Base interactions energy: -594.531
where: short stacking energy: -222.163
Base-Backbone interact. energy: 0.967
local terms energy: -244.094145
where:
bonds (distance) C4'-P energy: -37.638
bonds (distance) P-C4' energy: -59.601
flat angles C4'-P-C4' energy: -54.822
flat angles P-C4'-P energy: -47.111
tors. eta vs tors. theta energy: -44.923
Dist. restrs. and SS energy: 8.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -1219.846186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.846186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.284322 (E_RNA)
where:
Base-Base interactions energy: -846.592
where: short stacking energy: -341.032
Base-Backbone interact. energy: -1.698
local terms energy: -373.994087
where:
bonds (distance) C4'-P energy: -72.029
bonds (distance) P-C4' energy: -64.854
flat angles C4'-P-C4' energy: -78.545
flat angles P-C4'-P energy: -56.550
tors. eta vs tors. theta energy: -102.015
Dist. restrs. and SS energy: 2.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -1184.563715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.563715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.719762 (E_RNA)
where:
Base-Base interactions energy: -848.053
where: short stacking energy: -335.089
Base-Backbone interact. energy: 1.784
local terms energy: -342.451223
where:
bonds (distance) C4'-P energy: -69.329
bonds (distance) P-C4' energy: -60.642
flat angles C4'-P-C4' energy: -71.938
flat angles P-C4'-P energy: -54.983
tors. eta vs tors. theta energy: -85.559
Dist. restrs. and SS energy: 4.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -1127.313773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.313773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.784127 (E_RNA)
where:
Base-Base interactions energy: -787.777
where: short stacking energy: -320.783
Base-Backbone interact. energy: -2.303
local terms energy: -340.704093
where:
bonds (distance) C4'-P energy: -59.052
bonds (distance) P-C4' energy: -74.871
flat angles C4'-P-C4' energy: -80.447
flat angles P-C4'-P energy: -42.395
tors. eta vs tors. theta energy: -83.939
Dist. restrs. and SS energy: 3.470 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -1091.135195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.135195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.661726 (E_RNA)
where:
Base-Base interactions energy: -771.690
where: short stacking energy: -315.790
Base-Backbone interact. energy: -0.773
local terms energy: -326.198614
where:
bonds (distance) C4'-P energy: -62.481
bonds (distance) P-C4' energy: -60.110
flat angles C4'-P-C4' energy: -67.000
flat angles P-C4'-P energy: -52.225
tors. eta vs tors. theta energy: -84.382
Dist. restrs. and SS energy: 7.527 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -1037.841504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.841504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.431979 (E_RNA)
where:
Base-Base interactions energy: -725.485
where: short stacking energy: -309.957
Base-Backbone interact. energy: -1.232
local terms energy: -314.715169
where:
bonds (distance) C4'-P energy: -63.927
bonds (distance) P-C4' energy: -53.938
flat angles C4'-P-C4' energy: -60.807
flat angles P-C4'-P energy: -49.099
tors. eta vs tors. theta energy: -86.945
Dist. restrs. and SS energy: 3.590 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -1057.867396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.867396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.162116 (E_RNA)
where:
Base-Base interactions energy: -735.782
where: short stacking energy: -309.916
Base-Backbone interact. energy: -0.811
local terms energy: -324.568810
where:
bonds (distance) C4'-P energy: -59.441
bonds (distance) P-C4' energy: -60.912
flat angles C4'-P-C4' energy: -72.163
flat angles P-C4'-P energy: -47.121
tors. eta vs tors. theta energy: -84.932
Dist. restrs. and SS energy: 3.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -923.527366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.527366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.187850 (E_RNA)
where:
Base-Base interactions energy: -648.316
where: short stacking energy: -262.655
Base-Backbone interact. energy: -1.102
local terms energy: -277.770056
where:
bonds (distance) C4'-P energy: -54.513
bonds (distance) P-C4' energy: -51.531
flat angles C4'-P-C4' energy: -69.826
flat angles P-C4'-P energy: -40.383
tors. eta vs tors. theta energy: -61.517
Dist. restrs. and SS energy: 3.660 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -893.355164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.355164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.100480 (E_RNA)
where:
Base-Base interactions energy: -630.263
where: short stacking energy: -223.635
Base-Backbone interact. energy: -1.396
local terms energy: -266.442052
where:
bonds (distance) C4'-P energy: -51.215
bonds (distance) P-C4' energy: -56.121
flat angles C4'-P-C4' energy: -60.398
flat angles P-C4'-P energy: -42.256
tors. eta vs tors. theta energy: -56.452
Dist. restrs. and SS energy: 4.745 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -883.788236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.788236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.915449 (E_RNA)
where:
Base-Base interactions energy: -620.396
where: short stacking energy: -244.791
Base-Backbone interact. energy: 1.003
local terms energy: -279.522992
where:
bonds (distance) C4'-P energy: -55.293
bonds (distance) P-C4' energy: -72.930
flat angles C4'-P-C4' energy: -55.940
flat angles P-C4'-P energy: -39.868
tors. eta vs tors. theta energy: -55.492
Dist. restrs. and SS energy: 15.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -836.206660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.206660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.445481 (E_RNA)
where:
Base-Base interactions energy: -607.347
where: short stacking energy: -244.662
Base-Backbone interact. energy: -1.166
local terms energy: -233.932910
where:
bonds (distance) C4'-P energy: -42.394
bonds (distance) P-C4' energy: -49.347
flat angles C4'-P-C4' energy: -63.818
flat angles P-C4'-P energy: -22.061
tors. eta vs tors. theta energy: -56.313
Dist. restrs. and SS energy: 6.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -1220.166461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.166461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.296075 (E_RNA)
where:
Base-Base interactions energy: -843.754
where: short stacking energy: -345.607
Base-Backbone interact. energy: -0.666
local terms energy: -378.875674
where:
bonds (distance) C4'-P energy: -76.897
bonds (distance) P-C4' energy: -67.658
flat angles C4'-P-C4' energy: -74.779
flat angles P-C4'-P energy: -56.605
tors. eta vs tors. theta energy: -102.936
Dist. restrs. and SS energy: 3.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -1158.735918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.735918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.590841 (E_RNA)
where:
Base-Base interactions energy: -824.866
where: short stacking energy: -337.712
Base-Backbone interact. energy: -2.706
local terms energy: -334.019226
where:
bonds (distance) C4'-P energy: -58.553
bonds (distance) P-C4' energy: -53.600
flat angles C4'-P-C4' energy: -81.607
flat angles P-C4'-P energy: -51.653
tors. eta vs tors. theta energy: -88.607
Dist. restrs. and SS energy: 2.855 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -1130.459550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.459550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.339677 (E_RNA)
where:
Base-Base interactions energy: -787.435
where: short stacking energy: -318.415
Base-Backbone interact. energy: -1.496
local terms energy: -344.408585
where:
bonds (distance) C4'-P energy: -67.305
bonds (distance) P-C4' energy: -66.268
flat angles C4'-P-C4' energy: -78.185
flat angles P-C4'-P energy: -49.375
tors. eta vs tors. theta energy: -83.276
Dist. restrs. and SS energy: 2.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -1091.333075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.333075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.072425 (E_RNA)
where:
Base-Base interactions energy: -763.108
where: short stacking energy: -312.612
Base-Backbone interact. energy: -2.023
local terms energy: -333.941007
where:
bonds (distance) C4'-P energy: -62.932
bonds (distance) P-C4' energy: -75.991
flat angles C4'-P-C4' energy: -67.901
flat angles P-C4'-P energy: -43.178
tors. eta vs tors. theta energy: -83.940
Dist. restrs. and SS energy: 7.739 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -1059.262061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.262061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.402330 (E_RNA)
where:
Base-Base interactions energy: -755.345
where: short stacking energy: -300.187
Base-Backbone interact. energy: -3.193
local terms energy: -303.864682
where:
bonds (distance) C4'-P energy: -52.493
bonds (distance) P-C4' energy: -58.591
flat angles C4'-P-C4' energy: -71.420
flat angles P-C4'-P energy: -40.193
tors. eta vs tors. theta energy: -81.167
Dist. restrs. and SS energy: 3.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -1027.123288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.123288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.547916 (E_RNA)
where:
Base-Base interactions energy: -719.356
where: short stacking energy: -310.676
Base-Backbone interact. energy: -2.532
local terms energy: -307.660712
where:
bonds (distance) C4'-P energy: -47.092
bonds (distance) P-C4' energy: -51.735
flat angles C4'-P-C4' energy: -71.428
flat angles P-C4'-P energy: -52.970
tors. eta vs tors. theta energy: -84.436
Dist. restrs. and SS energy: 2.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -926.334082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.334082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.713633 (E_RNA)
where:
Base-Base interactions energy: -639.764
where: short stacking energy: -246.052
Base-Backbone interact. energy: -2.134
local terms energy: -290.815989
where:
bonds (distance) C4'-P energy: -48.463
bonds (distance) P-C4' energy: -66.490
flat angles C4'-P-C4' energy: -67.287
flat angles P-C4'-P energy: -51.697
tors. eta vs tors. theta energy: -56.879
Dist. restrs. and SS energy: 6.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -955.837197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.837197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.164925 (E_RNA)
where:
Base-Base interactions energy: -677.488
where: short stacking energy: -291.433
Base-Backbone interact. energy: 1.668
local terms energy: -284.344103
where:
bonds (distance) C4'-P energy: -53.864
bonds (distance) P-C4' energy: -57.596
flat angles C4'-P-C4' energy: -62.559
flat angles P-C4'-P energy: -37.222
tors. eta vs tors. theta energy: -73.103
Dist. restrs. and SS energy: 4.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -842.308712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.308712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.454064 (E_RNA)
where:
Base-Base interactions energy: -604.093
where: short stacking energy: -227.231
Base-Backbone interact. energy: 1.628
local terms energy: -245.988645
where:
bonds (distance) C4'-P energy: -53.331
bonds (distance) P-C4' energy: -35.266
flat angles C4'-P-C4' energy: -61.791
flat angles P-C4'-P energy: -42.786
tors. eta vs tors. theta energy: -52.816
Dist. restrs. and SS energy: 6.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -827.224806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.224806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.151652 (E_RNA)
where:
Base-Base interactions energy: -587.195
where: short stacking energy: -228.673
Base-Backbone interact. energy: -0.316
local terms energy: -246.641175
where:
bonds (distance) C4'-P energy: -36.300
bonds (distance) P-C4' energy: -53.410
flat angles C4'-P-C4' energy: -66.109
flat angles P-C4'-P energy: -36.526
tors. eta vs tors. theta energy: -54.296
Dist. restrs. and SS energy: 6.927 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -1217.736551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.736551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.408287 (E_RNA)
where:
Base-Base interactions energy: -861.042
where: short stacking energy: -352.269
Base-Backbone interact. energy: -1.862
local terms energy: -357.504523
where:
bonds (distance) C4'-P energy: -59.441
bonds (distance) P-C4' energy: -68.295
flat angles C4'-P-C4' energy: -74.463
flat angles P-C4'-P energy: -52.756
tors. eta vs tors. theta energy: -102.550
Dist. restrs. and SS energy: 2.672 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -1162.569619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.569619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.113984 (E_RNA)
where:
Base-Base interactions energy: -834.027
where: short stacking energy: -334.089
Base-Backbone interact. energy: 0.393
local terms energy: -332.479690
where:
bonds (distance) C4'-P energy: -52.967
bonds (distance) P-C4' energy: -71.693
flat angles C4'-P-C4' energy: -64.200
flat angles P-C4'-P energy: -50.528
tors. eta vs tors. theta energy: -93.090
Dist. restrs. and SS energy: 3.544 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -1135.369517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.369517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.564393 (E_RNA)
where:
Base-Base interactions energy: -803.577
where: short stacking energy: -311.507
Base-Backbone interact. energy: -2.772
local terms energy: -334.215307
where:
bonds (distance) C4'-P energy: -65.924
bonds (distance) P-C4' energy: -57.629
flat angles C4'-P-C4' energy: -67.525
flat angles P-C4'-P energy: -54.105
tors. eta vs tors. theta energy: -89.033
Dist. restrs. and SS energy: 5.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -1099.198463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.198463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.373888 (E_RNA)
where:
Base-Base interactions energy: -783.060
where: short stacking energy: -315.081
Base-Backbone interact. energy: -1.934
local terms energy: -318.379461
where:
bonds (distance) C4'-P energy: -66.771
bonds (distance) P-C4' energy: -55.095
flat angles C4'-P-C4' energy: -63.264
flat angles P-C4'-P energy: -48.368
tors. eta vs tors. theta energy: -84.881
Dist. restrs. and SS energy: 4.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -1102.057068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.057068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.966166 (E_RNA)
where:
Base-Base interactions energy: -763.982
where: short stacking energy: -316.549
Base-Backbone interact. energy: -0.374
local terms energy: -343.610281
where:
bonds (distance) C4'-P energy: -67.026
bonds (distance) P-C4' energy: -63.058
flat angles C4'-P-C4' energy: -67.068
flat angles P-C4'-P energy: -44.685
tors. eta vs tors. theta energy: -101.773
Dist. restrs. and SS energy: 5.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -982.570929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.570929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.414330 (E_RNA)
where:
Base-Base interactions energy: -693.962
where: short stacking energy: -270.980
Base-Backbone interact. energy: -0.039
local terms energy: -291.412438
where:
bonds (distance) C4'-P energy: -56.529
bonds (distance) P-C4' energy: -67.210
flat angles C4'-P-C4' energy: -61.528
flat angles P-C4'-P energy: -41.325
tors. eta vs tors. theta energy: -64.822
Dist. restrs. and SS energy: 2.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -926.164768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.164768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.398858 (E_RNA)
where:
Base-Base interactions energy: -649.585
where: short stacking energy: -260.705
Base-Backbone interact. energy: -0.827
local terms energy: -279.986699
where:
bonds (distance) C4'-P energy: -54.408
bonds (distance) P-C4' energy: -65.408
flat angles C4'-P-C4' energy: -64.193
flat angles P-C4'-P energy: -35.952
tors. eta vs tors. theta energy: -60.026
Dist. restrs. and SS energy: 4.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -945.880289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.880289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.669959 (E_RNA)
where:
Base-Base interactions energy: -668.850
where: short stacking energy: -259.805
Base-Backbone interact. energy: -2.278
local terms energy: -280.541994
where:
bonds (distance) C4'-P energy: -47.067
bonds (distance) P-C4' energy: -57.891
flat angles C4'-P-C4' energy: -65.980
flat angles P-C4'-P energy: -43.394
tors. eta vs tors. theta energy: -66.211
Dist. restrs. and SS energy: 5.790 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -851.588770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.588770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.251881 (E_RNA)
where:
Base-Base interactions energy: -606.498
where: short stacking energy: -226.832
Base-Backbone interact. energy: -1.327
local terms energy: -252.427342
where:
bonds (distance) C4'-P energy: -50.381
bonds (distance) P-C4' energy: -57.763
flat angles C4'-P-C4' energy: -57.382
flat angles P-C4'-P energy: -29.465
tors. eta vs tors. theta energy: -57.436
Dist. restrs. and SS energy: 8.663 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -862.948592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.948592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.916180 (E_RNA)
where:
Base-Base interactions energy: -621.697
where: short stacking energy: -240.978
Base-Backbone interact. energy: 0.514
local terms energy: -248.732203
where:
bonds (distance) C4'-P energy: -41.546
bonds (distance) P-C4' energy: -55.255
flat angles C4'-P-C4' energy: -67.602
flat angles P-C4'-P energy: -34.421
tors. eta vs tors. theta energy: -49.908
Dist. restrs. and SS energy: 6.968 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -1214.258937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.258937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.722914 (E_RNA)
where:
Base-Base interactions energy: -842.611
where: short stacking energy: -349.555
Base-Backbone interact. energy: -2.211
local terms energy: -371.901043
where:
bonds (distance) C4'-P energy: -61.640
bonds (distance) P-C4' energy: -80.769
flat angles C4'-P-C4' energy: -78.559
flat angles P-C4'-P energy: -50.183
tors. eta vs tors. theta energy: -100.750
Dist. restrs. and SS energy: 2.464 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -1187.856206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.856206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.603991 (E_RNA)
where:
Base-Base interactions energy: -838.457
where: short stacking energy: -318.204
Base-Backbone interact. energy: -2.272
local terms energy: -349.874355
where:
bonds (distance) C4'-P energy: -72.367
bonds (distance) P-C4' energy: -60.757
flat angles C4'-P-C4' energy: -73.344
flat angles P-C4'-P energy: -47.043
tors. eta vs tors. theta energy: -96.364
Dist. restrs. and SS energy: 2.748 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -1128.291337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.291337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.647915 (E_RNA)
where:
Base-Base interactions energy: -796.447
where: short stacking energy: -311.612
Base-Backbone interact. energy: 3.358
local terms energy: -338.558184
where:
bonds (distance) C4'-P energy: -60.432
bonds (distance) P-C4' energy: -66.022
flat angles C4'-P-C4' energy: -68.402
flat angles P-C4'-P energy: -58.479
tors. eta vs tors. theta energy: -85.224
Dist. restrs. and SS energy: 3.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -1110.063848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.063848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.547589 (E_RNA)
where:
Base-Base interactions energy: -779.338
where: short stacking energy: -326.301
Base-Backbone interact. energy: -1.034
local terms energy: -335.175514
where:
bonds (distance) C4'-P energy: -63.842
bonds (distance) P-C4' energy: -69.630
flat angles C4'-P-C4' energy: -69.656
flat angles P-C4'-P energy: -45.194
tors. eta vs tors. theta energy: -86.853
Dist. restrs. and SS energy: 5.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -1063.878337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.878337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.206416 (E_RNA)
where:
Base-Base interactions energy: -763.200
where: short stacking energy: -313.850
Base-Backbone interact. energy: -1.825
local terms energy: -305.181797
where:
bonds (distance) C4'-P energy: -54.502
bonds (distance) P-C4' energy: -42.228
flat angles C4'-P-C4' energy: -77.837
flat angles P-C4'-P energy: -48.993
tors. eta vs tors. theta energy: -81.623
Dist. restrs. and SS energy: 6.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -976.268743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.268743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.287661 (E_RNA)
where:
Base-Base interactions energy: -665.883
where: short stacking energy: -256.788
Base-Backbone interact. energy: -1.631
local terms energy: -312.773704
where:
bonds (distance) C4'-P energy: -69.144
bonds (distance) P-C4' energy: -66.686
flat angles C4'-P-C4' energy: -67.379
flat angles P-C4'-P energy: -42.140
tors. eta vs tors. theta energy: -67.425
Dist. restrs. and SS energy: 4.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -951.010658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.010658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.003653 (E_RNA)
where:
Base-Base interactions energy: -673.677
where: short stacking energy: -258.790
Base-Backbone interact. energy: 5.013
local terms energy: -289.340373
where:
bonds (distance) C4'-P energy: -62.706
bonds (distance) P-C4' energy: -57.086
flat angles C4'-P-C4' energy: -61.099
flat angles P-C4'-P energy: -39.759
tors. eta vs tors. theta energy: -68.689
Dist. restrs. and SS energy: 6.993 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -910.650979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.650979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.802753 (E_RNA)
where:
Base-Base interactions energy: -657.202
where: short stacking energy: -249.227
Base-Backbone interact. energy: -1.206
local terms energy: -258.394940
where:
bonds (distance) C4'-P energy: -59.027
bonds (distance) P-C4' energy: -55.901
flat angles C4'-P-C4' energy: -65.030
flat angles P-C4'-P energy: -31.698
tors. eta vs tors. theta energy: -46.739
Dist. restrs. and SS energy: 6.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -877.925853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.925853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.402211 (E_RNA)
where:
Base-Base interactions energy: -599.293
where: short stacking energy: -235.803
Base-Backbone interact. energy: -0.803
local terms energy: -286.305365
where:
bonds (distance) C4'-P energy: -64.617
bonds (distance) P-C4' energy: -54.575
flat angles C4'-P-C4' energy: -62.415
flat angles P-C4'-P energy: -49.670
tors. eta vs tors. theta energy: -55.028
Dist. restrs. and SS energy: 8.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -816.476223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.476223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.626268 (E_RNA)
where:
Base-Base interactions energy: -582.355
where: short stacking energy: -220.130
Base-Backbone interact. energy: -0.717
local terms energy: -240.554215
where:
bonds (distance) C4'-P energy: -47.317
bonds (distance) P-C4' energy: -61.330
flat angles C4'-P-C4' energy: -57.524
flat angles P-C4'-P energy: -32.299
tors. eta vs tors. theta energy: -42.085
Dist. restrs. and SS energy: 7.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -1207.747553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.747553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.020901 (E_RNA)
where:
Base-Base interactions energy: -847.168
where: short stacking energy: -347.591
Base-Backbone interact. energy: -0.333
local terms energy: -363.519344
where:
bonds (distance) C4'-P energy: -72.183
bonds (distance) P-C4' energy: -62.509
flat angles C4'-P-C4' energy: -78.279
flat angles P-C4'-P energy: -55.327
tors. eta vs tors. theta energy: -95.222
Dist. restrs. and SS energy: 3.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -1172.644617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.644617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.535108 (E_RNA)
where:
Base-Base interactions energy: -821.413
where: short stacking energy: -330.220
Base-Backbone interact. energy: -1.513
local terms energy: -352.609190
where:
bonds (distance) C4'-P energy: -71.278
bonds (distance) P-C4' energy: -59.625
flat angles C4'-P-C4' energy: -73.185
flat angles P-C4'-P energy: -59.186
tors. eta vs tors. theta energy: -89.335
Dist. restrs. and SS energy: 2.890 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -1184.522843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.522843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.605603 (E_RNA)
where:
Base-Base interactions energy: -844.999
where: short stacking energy: -336.032
Base-Backbone interact. energy: -1.051
local terms energy: -341.555773
where:
bonds (distance) C4'-P energy: -59.555
bonds (distance) P-C4' energy: -74.282
flat angles C4'-P-C4' energy: -76.848
flat angles P-C4'-P energy: -43.567
tors. eta vs tors. theta energy: -87.303
Dist. restrs. and SS energy: 3.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -1094.899799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.899799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.741754 (E_RNA)
where:
Base-Base interactions energy: -773.522
where: short stacking energy: -323.040
Base-Backbone interact. energy: -1.023
local terms energy: -326.196041
where:
bonds (distance) C4'-P energy: -70.730
bonds (distance) P-C4' energy: -54.982
flat angles C4'-P-C4' energy: -69.760
flat angles P-C4'-P energy: -41.717
tors. eta vs tors. theta energy: -89.006
Dist. restrs. and SS energy: 5.842 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -1081.825414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.825414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.802984 (E_RNA)
where:
Base-Base interactions energy: -749.297
where: short stacking energy: -316.166
Base-Backbone interact. energy: 0.742
local terms energy: -339.248370
where:
bonds (distance) C4'-P energy: -66.312
bonds (distance) P-C4' energy: -65.482
flat angles C4'-P-C4' energy: -67.297
flat angles P-C4'-P energy: -50.832
tors. eta vs tors. theta energy: -89.325
Dist. restrs. and SS energy: 5.978 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -978.106988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.106988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.933384 (E_RNA)
where:
Base-Base interactions energy: -668.226
where: short stacking energy: -266.108
Base-Backbone interact. energy: 0.737
local terms energy: -315.444610
where:
bonds (distance) C4'-P energy: -72.158
bonds (distance) P-C4' energy: -53.147
flat angles C4'-P-C4' energy: -72.659
flat angles P-C4'-P energy: -45.393
tors. eta vs tors. theta energy: -72.088
Dist. restrs. and SS energy: 4.826 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -967.878007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.878007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.283415 (E_RNA)
where:
Base-Base interactions energy: -686.661
where: short stacking energy: -283.409
Base-Backbone interact. energy: -1.040
local terms energy: -288.582122
where:
bonds (distance) C4'-P energy: -57.136
bonds (distance) P-C4' energy: -51.553
flat angles C4'-P-C4' energy: -63.031
flat angles P-C4'-P energy: -50.151
tors. eta vs tors. theta energy: -66.712
Dist. restrs. and SS energy: 8.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -879.401554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.401554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.135396 (E_RNA)
where:
Base-Base interactions energy: -614.552
where: short stacking energy: -251.377
Base-Backbone interact. energy: 1.181
local terms energy: -273.764753
where:
bonds (distance) C4'-P energy: -48.127
bonds (distance) P-C4' energy: -56.407
flat angles C4'-P-C4' energy: -67.180
flat angles P-C4'-P energy: -44.045
tors. eta vs tors. theta energy: -58.007
Dist. restrs. and SS energy: 7.734 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -859.261307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.261307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.508188 (E_RNA)
where:
Base-Base interactions energy: -585.935
where: short stacking energy: -239.061
Base-Backbone interact. energy: 1.076
local terms energy: -280.649447
where:
bonds (distance) C4'-P energy: -57.025
bonds (distance) P-C4' energy: -63.575
flat angles C4'-P-C4' energy: -71.143
flat angles P-C4'-P energy: -33.030
tors. eta vs tors. theta energy: -55.876
Dist. restrs. and SS energy: 6.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -842.192530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.192530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.320467 (E_RNA)
where:
Base-Base interactions energy: -586.265
where: short stacking energy: -225.439
Base-Backbone interact. energy: 2.079
local terms energy: -263.134350
where:
bonds (distance) C4'-P energy: -50.455
bonds (distance) P-C4' energy: -56.120
flat angles C4'-P-C4' energy: -62.486
flat angles P-C4'-P energy: -35.765
tors. eta vs tors. theta energy: -58.308
Dist. restrs. and SS energy: 5.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -1215.420581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.420581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.832317 (E_RNA)
where:
Base-Base interactions energy: -841.002
where: short stacking energy: -352.836
Base-Backbone interact. energy: -1.865
local terms energy: -374.965785
where:
bonds (distance) C4'-P energy: -70.747
bonds (distance) P-C4' energy: -75.713
flat angles C4'-P-C4' energy: -77.809
flat angles P-C4'-P energy: -49.843
tors. eta vs tors. theta energy: -100.854
Dist. restrs. and SS energy: 2.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -1187.661449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.661449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.246689 (E_RNA)
where:
Base-Base interactions energy: -832.844
where: short stacking energy: -325.156
Base-Backbone interact. energy: 0.291
local terms energy: -360.693126
where:
bonds (distance) C4'-P energy: -64.992
bonds (distance) P-C4' energy: -70.083
flat angles C4'-P-C4' energy: -76.581
flat angles P-C4'-P energy: -59.524
tors. eta vs tors. theta energy: -89.514
Dist. restrs. and SS energy: 5.585 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -1190.606648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.606648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.902343 (E_RNA)
where:
Base-Base interactions energy: -851.913
where: short stacking energy: -330.642
Base-Backbone interact. energy: -2.902
local terms energy: -340.087156
where:
bonds (distance) C4'-P energy: -60.941
bonds (distance) P-C4' energy: -60.400
flat angles C4'-P-C4' energy: -72.370
flat angles P-C4'-P energy: -57.273
tors. eta vs tors. theta energy: -89.102
Dist. restrs. and SS energy: 4.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -1121.291436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.291436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.852540 (E_RNA)
where:
Base-Base interactions energy: -782.294
where: short stacking energy: -314.008
Base-Backbone interact. energy: -0.414
local terms energy: -346.145193
where:
bonds (distance) C4'-P energy: -67.458
bonds (distance) P-C4' energy: -72.247
flat angles C4'-P-C4' energy: -70.761
flat angles P-C4'-P energy: -52.297
tors. eta vs tors. theta energy: -83.383
Dist. restrs. and SS energy: 7.561 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -1078.245883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.245883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.059218 (E_RNA)
where:
Base-Base interactions energy: -736.525
where: short stacking energy: -311.089
Base-Backbone interact. energy: -0.636
local terms energy: -346.898810
where:
bonds (distance) C4'-P energy: -70.241
bonds (distance) P-C4' energy: -65.524
flat angles C4'-P-C4' energy: -68.287
flat angles P-C4'-P energy: -52.395
tors. eta vs tors. theta energy: -90.452
Dist. restrs. and SS energy: 5.813 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -993.887136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.887136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.883362 (E_RNA)
where:
Base-Base interactions energy: -695.309
where: short stacking energy: -280.061
Base-Backbone interact. energy: 3.344
local terms energy: -304.918747
where:
bonds (distance) C4'-P energy: -55.201
bonds (distance) P-C4' energy: -62.496
flat angles C4'-P-C4' energy: -73.133
flat angles P-C4'-P energy: -43.058
tors. eta vs tors. theta energy: -71.030
Dist. restrs. and SS energy: 2.996 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -944.730714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.730714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.088496 (E_RNA)
where:
Base-Base interactions energy: -645.599
where: short stacking energy: -253.081
Base-Backbone interact. energy: 1.520
local terms energy: -310.009150
where:
bonds (distance) C4'-P energy: -62.822
bonds (distance) P-C4' energy: -53.455
flat angles C4'-P-C4' energy: -74.747
flat angles P-C4'-P energy: -47.405
tors. eta vs tors. theta energy: -71.581
Dist. restrs. and SS energy: 9.358 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -907.471852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.471852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.787337 (E_RNA)
where:
Base-Base interactions energy: -631.804
where: short stacking energy: -263.825
Base-Backbone interact. energy: -2.135
local terms energy: -283.848156
where:
bonds (distance) C4'-P energy: -62.437
bonds (distance) P-C4' energy: -57.371
flat angles C4'-P-C4' energy: -61.451
flat angles P-C4'-P energy: -28.215
tors. eta vs tors. theta energy: -74.374
Dist. restrs. and SS energy: 10.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -846.579481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.579481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.748859 (E_RNA)
where:
Base-Base interactions energy: -615.503
where: short stacking energy: -250.131
Base-Backbone interact. energy: -2.073
local terms energy: -243.173143
where:
bonds (distance) C4'-P energy: -41.539
bonds (distance) P-C4' energy: -55.650
flat angles C4'-P-C4' energy: -56.460
flat angles P-C4'-P energy: -33.555
tors. eta vs tors. theta energy: -55.969
Dist. restrs. and SS energy: 14.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -830.384058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.384058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.584850 (E_RNA)
where:
Base-Base interactions energy: -581.174
where: short stacking energy: -230.852
Base-Backbone interact. energy: 0.066
local terms energy: -256.476816
where:
bonds (distance) C4'-P energy: -60.679
bonds (distance) P-C4' energy: -42.116
flat angles C4'-P-C4' energy: -63.050
flat angles P-C4'-P energy: -41.832
tors. eta vs tors. theta energy: -48.800
Dist. restrs. and SS energy: 7.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -1217.698454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.698454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.631318 (E_RNA)
where:
Base-Base interactions energy: -854.267
where: short stacking energy: -356.126
Base-Backbone interact. energy: -1.075
local terms energy: -365.289833
where:
bonds (distance) C4'-P energy: -69.141
bonds (distance) P-C4' energy: -59.191
flat angles C4'-P-C4' energy: -79.361
flat angles P-C4'-P energy: -58.007
tors. eta vs tors. theta energy: -99.589
Dist. restrs. and SS energy: 2.933 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -1207.281354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.281354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.422757 (E_RNA)
where:
Base-Base interactions energy: -854.085
where: short stacking energy: -333.474
Base-Backbone interact. energy: -1.547
local terms energy: -354.790944
where:
bonds (distance) C4'-P energy: -57.625
bonds (distance) P-C4' energy: -71.963
flat angles C4'-P-C4' energy: -80.487
flat angles P-C4'-P energy: -50.650
tors. eta vs tors. theta energy: -94.066
Dist. restrs. and SS energy: 3.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -1151.846933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.846933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.974452 (E_RNA)
where:
Base-Base interactions energy: -812.611
where: short stacking energy: -316.346
Base-Backbone interact. energy: -2.972
local terms energy: -339.391914
where:
bonds (distance) C4'-P energy: -58.666
bonds (distance) P-C4' energy: -66.954
flat angles C4'-P-C4' energy: -67.526
flat angles P-C4'-P energy: -48.963
tors. eta vs tors. theta energy: -97.282
Dist. restrs. and SS energy: 3.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -1133.581308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.581308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.476364 (E_RNA)
where:
Base-Base interactions energy: -801.245
where: short stacking energy: -326.038
Base-Backbone interact. energy: -2.173
local terms energy: -335.058661
where:
bonds (distance) C4'-P energy: -57.134
bonds (distance) P-C4' energy: -63.807
flat angles C4'-P-C4' energy: -64.205
flat angles P-C4'-P energy: -50.277
tors. eta vs tors. theta energy: -99.635
Dist. restrs. and SS energy: 4.895 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -1091.490168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.490168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.757765 (E_RNA)
where:
Base-Base interactions energy: -779.505
where: short stacking energy: -321.125
Base-Backbone interact. energy: -1.893
local terms energy: -318.359817
where:
bonds (distance) C4'-P energy: -47.538
bonds (distance) P-C4' energy: -60.453
flat angles C4'-P-C4' energy: -67.701
flat angles P-C4'-P energy: -48.418
tors. eta vs tors. theta energy: -94.250
Dist. restrs. and SS energy: 8.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -1036.234575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.234575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.850537 (E_RNA)
where:
Base-Base interactions energy: -726.764
where: short stacking energy: -289.680
Base-Backbone interact. energy: -1.372
local terms energy: -310.714084
where:
bonds (distance) C4'-P energy: -68.173
bonds (distance) P-C4' energy: -66.710
flat angles C4'-P-C4' energy: -62.608
flat angles P-C4'-P energy: -45.306
tors. eta vs tors. theta energy: -67.916
Dist. restrs. and SS energy: 2.616 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -956.585934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.585934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.980446 (E_RNA)
where:
Base-Base interactions energy: -691.634
where: short stacking energy: -270.718
Base-Backbone interact. energy: 0.654
local terms energy: -271.999760
where:
bonds (distance) C4'-P energy: -43.354
bonds (distance) P-C4' energy: -54.127
flat angles C4'-P-C4' energy: -67.107
flat angles P-C4'-P energy: -46.019
tors. eta vs tors. theta energy: -61.393
Dist. restrs. and SS energy: 6.395 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -910.480376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.480376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.033492 (E_RNA)
where:
Base-Base interactions energy: -625.045
where: short stacking energy: -245.207
Base-Backbone interact. energy: 1.728
local terms energy: -291.716503
where:
bonds (distance) C4'-P energy: -54.402
bonds (distance) P-C4' energy: -61.413
flat angles C4'-P-C4' energy: -66.542
flat angles P-C4'-P energy: -38.295
tors. eta vs tors. theta energy: -71.064
Dist. restrs. and SS energy: 4.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -856.839050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.839050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.124728 (E_RNA)
where:
Base-Base interactions energy: -616.271
where: short stacking energy: -244.187
Base-Backbone interact. energy: -0.008
local terms energy: -250.845793
where:
bonds (distance) C4'-P energy: -52.526
bonds (distance) P-C4' energy: -46.084
flat angles C4'-P-C4' energy: -61.473
flat angles P-C4'-P energy: -27.465
tors. eta vs tors. theta energy: -63.298
Dist. restrs. and SS energy: 10.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -844.796724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.796724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.788387 (E_RNA)
where:
Base-Base interactions energy: -588.639
where: short stacking energy: -225.417
Base-Backbone interact. energy: -1.609
local terms energy: -258.540720
where:
bonds (distance) C4'-P energy: -51.123
bonds (distance) P-C4' energy: -64.953
flat angles C4'-P-C4' energy: -55.050
flat angles P-C4'-P energy: -34.327
tors. eta vs tors. theta energy: -53.087
Dist. restrs. and SS energy: 3.992 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -1218.159225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.159225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.144340 (E_RNA)
where:
Base-Base interactions energy: -834.717
where: short stacking energy: -336.059
Base-Backbone interact. energy: -1.442
local terms energy: -384.985465
where:
bonds (distance) C4'-P energy: -63.567
bonds (distance) P-C4' energy: -75.727
flat angles C4'-P-C4' energy: -77.854
flat angles P-C4'-P energy: -64.104
tors. eta vs tors. theta energy: -103.733
Dist. restrs. and SS energy: 2.985 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -1195.734814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.734814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.806384 (E_RNA)
where:
Base-Base interactions energy: -830.341
where: short stacking energy: -330.358
Base-Backbone interact. energy: -2.436
local terms energy: -366.030273
where:
bonds (distance) C4'-P energy: -65.333
bonds (distance) P-C4' energy: -72.186
flat angles C4'-P-C4' energy: -71.832
flat angles P-C4'-P energy: -61.216
tors. eta vs tors. theta energy: -95.464
Dist. restrs. and SS energy: 3.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -1148.086880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.086880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.111109 (E_RNA)
where:
Base-Base interactions energy: -804.454
where: short stacking energy: -344.671
Base-Backbone interact. energy: -1.221
local terms energy: -346.435220
where:
bonds (distance) C4'-P energy: -59.775
bonds (distance) P-C4' energy: -69.731
flat angles C4'-P-C4' energy: -77.789
flat angles P-C4'-P energy: -45.611
tors. eta vs tors. theta energy: -93.528
Dist. restrs. and SS energy: 4.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -1099.634857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.634857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.017461 (E_RNA)
where:
Base-Base interactions energy: -779.720
where: short stacking energy: -299.882
Base-Backbone interact. energy: -1.838
local terms energy: -321.458770
where:
bonds (distance) C4'-P energy: -70.615
bonds (distance) P-C4' energy: -60.897
flat angles C4'-P-C4' energy: -65.934
flat angles P-C4'-P energy: -42.825
tors. eta vs tors. theta energy: -81.187
Dist. restrs. and SS energy: 3.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -1072.688464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.688464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.899751 (E_RNA)
where:
Base-Base interactions energy: -751.374
where: short stacking energy: -306.774
Base-Backbone interact. energy: 0.422
local terms energy: -329.947835
where:
bonds (distance) C4'-P energy: -61.320
bonds (distance) P-C4' energy: -62.081
flat angles C4'-P-C4' energy: -75.824
flat angles P-C4'-P energy: -49.118
tors. eta vs tors. theta energy: -81.605
Dist. restrs. and SS energy: 8.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -1020.520546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.520546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.698745 (E_RNA)
where:
Base-Base interactions energy: -708.632
where: short stacking energy: -276.896
Base-Backbone interact. energy: 1.065
local terms energy: -318.132096
where:
bonds (distance) C4'-P energy: -60.035
bonds (distance) P-C4' energy: -74.401
flat angles C4'-P-C4' energy: -75.555
flat angles P-C4'-P energy: -35.492
tors. eta vs tors. theta energy: -72.650
Dist. restrs. and SS energy: 5.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -926.433822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.433822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.629427 (E_RNA)
where:
Base-Base interactions energy: -658.602
where: short stacking energy: -249.617
Base-Backbone interact. energy: -2.240
local terms energy: -277.787235
where:
bonds (distance) C4'-P energy: -50.564
bonds (distance) P-C4' energy: -54.367
flat angles C4'-P-C4' energy: -56.556
flat angles P-C4'-P energy: -48.602
tors. eta vs tors. theta energy: -67.699
Dist. restrs. and SS energy: 12.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -889.169836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.169836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.636822 (E_RNA)
where:
Base-Base interactions energy: -618.211
where: short stacking energy: -251.903
Base-Backbone interact. energy: -1.737
local terms energy: -279.688800
where:
bonds (distance) C4'-P energy: -56.280
bonds (distance) P-C4' energy: -58.820
flat angles C4'-P-C4' energy: -70.461
flat angles P-C4'-P energy: -40.128
tors. eta vs tors. theta energy: -53.999
Dist. restrs. and SS energy: 10.467 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -900.690446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.690446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.025548 (E_RNA)
where:
Base-Base interactions energy: -644.942
where: short stacking energy: -246.415
Base-Backbone interact. energy: 1.099
local terms energy: -260.182148
where:
bonds (distance) C4'-P energy: -55.505
bonds (distance) P-C4' energy: -50.486
flat angles C4'-P-C4' energy: -47.363
flat angles P-C4'-P energy: -40.432
tors. eta vs tors. theta energy: -66.396
Dist. restrs. and SS energy: 3.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -855.094362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.094362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.679660 (E_RNA)
where:
Base-Base interactions energy: -578.958
where: short stacking energy: -232.124
Base-Backbone interact. energy: -2.253
local terms energy: -287.468854
where:
bonds (distance) C4'-P energy: -54.012
bonds (distance) P-C4' energy: -60.253
flat angles C4'-P-C4' energy: -63.439
flat angles P-C4'-P energy: -43.520
tors. eta vs tors. theta energy: -66.245
Dist. restrs. and SS energy: 13.585 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -1211.000076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.000076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.052833 (E_RNA)
where:
Base-Base interactions energy: -837.089
where: short stacking energy: -340.708
Base-Backbone interact. energy: -1.308
local terms energy: -376.655701
where:
bonds (distance) C4'-P energy: -65.669
bonds (distance) P-C4' energy: -81.294
flat angles C4'-P-C4' energy: -83.060
flat angles P-C4'-P energy: -50.422
tors. eta vs tors. theta energy: -96.210
Dist. restrs. and SS energy: 4.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -1206.118686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.118686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.237377 (E_RNA)
where:
Base-Base interactions energy: -839.291
where: short stacking energy: -335.826
Base-Backbone interact. energy: -0.689
local terms energy: -369.256901
where:
bonds (distance) C4'-P energy: -65.457
bonds (distance) P-C4' energy: -79.409
flat angles C4'-P-C4' energy: -70.650
flat angles P-C4'-P energy: -55.864
tors. eta vs tors. theta energy: -97.878
Dist. restrs. and SS energy: 3.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -1124.592749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.592749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.788681 (E_RNA)
where:
Base-Base interactions energy: -789.378
where: short stacking energy: -327.022
Base-Backbone interact. energy: 0.471
local terms energy: -339.881956
where:
bonds (distance) C4'-P energy: -71.077
bonds (distance) P-C4' energy: -54.447
flat angles C4'-P-C4' energy: -68.537
flat angles P-C4'-P energy: -53.753
tors. eta vs tors. theta energy: -92.069
Dist. restrs. and SS energy: 4.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -1094.457129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.457129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.029696 (E_RNA)
where:
Base-Base interactions energy: -778.316
where: short stacking energy: -299.126
Base-Backbone interact. energy: -1.573
local terms energy: -319.141349
where:
bonds (distance) C4'-P energy: -60.746
bonds (distance) P-C4' energy: -65.952
flat angles C4'-P-C4' energy: -68.148
flat angles P-C4'-P energy: -43.279
tors. eta vs tors. theta energy: -81.017
Dist. restrs. and SS energy: 4.573 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -1095.793320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.793320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.786327 (E_RNA)
where:
Base-Base interactions energy: -778.761
where: short stacking energy: -297.472
Base-Backbone interact. energy: -0.083
local terms energy: -319.942664
where:
bonds (distance) C4'-P energy: -62.530
bonds (distance) P-C4' energy: -72.950
flat angles C4'-P-C4' energy: -65.194
flat angles P-C4'-P energy: -42.065
tors. eta vs tors. theta energy: -77.203
Dist. restrs. and SS energy: 2.993 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -1027.982678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.982678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.924968 (E_RNA)
where:
Base-Base interactions energy: -719.363
where: short stacking energy: -283.227
Base-Backbone interact. energy: -2.360
local terms energy: -309.201026
where:
bonds (distance) C4'-P energy: -56.258
bonds (distance) P-C4' energy: -67.944
flat angles C4'-P-C4' energy: -67.216
flat angles P-C4'-P energy: -44.810
tors. eta vs tors. theta energy: -72.973
Dist. restrs. and SS energy: 2.942 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -930.759026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.759026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.615464 (E_RNA)
where:
Base-Base interactions energy: -650.385
where: short stacking energy: -256.065
Base-Backbone interact. energy: -1.765
local terms energy: -283.465775
where:
bonds (distance) C4'-P energy: -59.248
bonds (distance) P-C4' energy: -52.847
flat angles C4'-P-C4' energy: -63.129
flat angles P-C4'-P energy: -44.692
tors. eta vs tors. theta energy: -63.550
Dist. restrs. and SS energy: 4.856 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -933.105274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.105274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.402102 (E_RNA)
where:
Base-Base interactions energy: -671.316
where: short stacking energy: -255.734
Base-Backbone interact. energy: 1.608
local terms energy: -267.693760
where:
bonds (distance) C4'-P energy: -48.316
bonds (distance) P-C4' energy: -58.004
flat angles C4'-P-C4' energy: -59.519
flat angles P-C4'-P energy: -47.071
tors. eta vs tors. theta energy: -54.784
Dist. restrs. and SS energy: 4.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -885.634940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.634940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.579990 (E_RNA)
where:
Base-Base interactions energy: -630.775
where: short stacking energy: -250.934
Base-Backbone interact. energy: -2.887
local terms energy: -257.917463
where:
bonds (distance) C4'-P energy: -49.832
bonds (distance) P-C4' energy: -60.288
flat angles C4'-P-C4' energy: -57.373
flat angles P-C4'-P energy: -20.528
tors. eta vs tors. theta energy: -69.897
Dist. restrs. and SS energy: 5.945 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -818.050314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.050314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.389296 (E_RNA)
where:
Base-Base interactions energy: -563.911
where: short stacking energy: -218.686
Base-Backbone interact. energy: -0.547
local terms energy: -263.931146
where:
bonds (distance) C4'-P energy: -46.341
bonds (distance) P-C4' energy: -57.819
flat angles C4'-P-C4' energy: -59.958
flat angles P-C4'-P energy: -47.537
tors. eta vs tors. theta energy: -52.276
Dist. restrs. and SS energy: 10.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -1221.866289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.866289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.047711 (E_RNA)
where:
Base-Base interactions energy: -863.053
where: short stacking energy: -341.846
Base-Backbone interact. energy: -2.533
local terms energy: -359.461020
where:
bonds (distance) C4'-P energy: -63.664
bonds (distance) P-C4' energy: -58.595
flat angles C4'-P-C4' energy: -82.245
flat angles P-C4'-P energy: -51.824
tors. eta vs tors. theta energy: -103.132
Dist. restrs. and SS energy: 3.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -1178.642572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.642572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.430504 (E_RNA)
where:
Base-Base interactions energy: -831.273
where: short stacking energy: -321.365
Base-Backbone interact. energy: -2.199
local terms energy: -347.958922
where:
bonds (distance) C4'-P energy: -66.055
bonds (distance) P-C4' energy: -66.980
flat angles C4'-P-C4' energy: -74.199
flat angles P-C4'-P energy: -52.199
tors. eta vs tors. theta energy: -88.526
Dist. restrs. and SS energy: 2.788 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -1135.449910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.449910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.498791 (E_RNA)
where:
Base-Base interactions energy: -800.599
where: short stacking energy: -325.497
Base-Backbone interact. energy: 2.722
local terms energy: -341.621915
where:
bonds (distance) C4'-P energy: -61.731
bonds (distance) P-C4' energy: -72.365
flat angles C4'-P-C4' energy: -76.500
flat angles P-C4'-P energy: -42.618
tors. eta vs tors. theta energy: -88.407
Dist. restrs. and SS energy: 4.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -1104.095718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.095718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.585621 (E_RNA)
where:
Base-Base interactions energy: -793.532
where: short stacking energy: -309.310
Base-Backbone interact. energy: -1.419
local terms energy: -315.634242
where:
bonds (distance) C4'-P energy: -56.604
bonds (distance) P-C4' energy: -70.907
flat angles C4'-P-C4' energy: -71.652
flat angles P-C4'-P energy: -40.222
tors. eta vs tors. theta energy: -76.249
Dist. restrs. and SS energy: 6.490 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -1054.556597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.556597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.572419 (E_RNA)
where:
Base-Base interactions energy: -766.182
where: short stacking energy: -288.309
Base-Backbone interact. energy: -3.025
local terms energy: -291.365808
where:
bonds (distance) C4'-P energy: -55.017
bonds (distance) P-C4' energy: -55.671
flat angles C4'-P-C4' energy: -68.674
flat angles P-C4'-P energy: -39.585
tors. eta vs tors. theta energy: -72.420
Dist. restrs. and SS energy: 6.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -990.569158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.569158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.949122 (E_RNA)
where:
Base-Base interactions energy: -677.361
where: short stacking energy: -266.310
Base-Backbone interact. energy: 1.162
local terms energy: -317.750081
where:
bonds (distance) C4'-P energy: -57.851
bonds (distance) P-C4' energy: -63.719
flat angles C4'-P-C4' energy: -71.288
flat angles P-C4'-P energy: -50.291
tors. eta vs tors. theta energy: -74.602
Dist. restrs. and SS energy: 3.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -929.852052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.852052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.726998 (E_RNA)
where:
Base-Base interactions energy: -654.242
where: short stacking energy: -258.972
Base-Backbone interact. energy: 0.552
local terms energy: -285.037803
where:
bonds (distance) C4'-P energy: -53.619
bonds (distance) P-C4' energy: -64.198
flat angles C4'-P-C4' energy: -69.976
flat angles P-C4'-P energy: -36.751
tors. eta vs tors. theta energy: -60.493
Dist. restrs. and SS energy: 8.875 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -896.996888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.996888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.874228 (E_RNA)
where:
Base-Base interactions energy: -623.822
where: short stacking energy: -240.236
Base-Backbone interact. energy: 0.667
local terms energy: -284.719403
where:
bonds (distance) C4'-P energy: -54.269
bonds (distance) P-C4' energy: -52.565
flat angles C4'-P-C4' energy: -69.867
flat angles P-C4'-P energy: -47.538
tors. eta vs tors. theta energy: -60.481
Dist. restrs. and SS energy: 10.877 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -859.489520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.489520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.437201 (E_RNA)
where:
Base-Base interactions energy: -598.131
where: short stacking energy: -248.020
Base-Backbone interact. energy: 0.209
local terms energy: -270.514985
where:
bonds (distance) C4'-P energy: -63.426
bonds (distance) P-C4' energy: -46.131
flat angles C4'-P-C4' energy: -61.672
flat angles P-C4'-P energy: -39.594
tors. eta vs tors. theta energy: -59.692
Dist. restrs. and SS energy: 8.948 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -831.797391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.797391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.079779 (E_RNA)
where:
Base-Base interactions energy: -593.394
where: short stacking energy: -231.711
Base-Backbone interact. energy: -1.793
local terms energy: -249.893123
where:
bonds (distance) C4'-P energy: -47.801
bonds (distance) P-C4' energy: -55.740
flat angles C4'-P-C4' energy: -62.912
flat angles P-C4'-P energy: -38.827
tors. eta vs tors. theta energy: -44.613
Dist. restrs. and SS energy: 13.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -1234.466671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.466671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.512664 (E_RNA)
where:
Base-Base interactions energy: -861.100
where: short stacking energy: -347.972
Base-Backbone interact. energy: -2.616
local terms energy: -373.796740
where:
bonds (distance) C4'-P energy: -62.724
bonds (distance) P-C4' energy: -67.829
flat angles C4'-P-C4' energy: -79.317
flat angles P-C4'-P energy: -60.316
tors. eta vs tors. theta energy: -103.611
Dist. restrs. and SS energy: 3.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -1186.211714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.211714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.761476 (E_RNA)
where:
Base-Base interactions energy: -853.332
where: short stacking energy: -353.276
Base-Backbone interact. energy: -2.451
local terms energy: -333.978080
where:
bonds (distance) C4'-P energy: -59.735
bonds (distance) P-C4' energy: -65.723
flat angles C4'-P-C4' energy: -67.398
flat angles P-C4'-P energy: -46.408
tors. eta vs tors. theta energy: -94.714
Dist. restrs. and SS energy: 3.550 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -1140.376302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.376302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.212828 (E_RNA)
where:
Base-Base interactions energy: -801.153
where: short stacking energy: -340.566
Base-Backbone interact. energy: 2.031
local terms energy: -346.091689
where:
bonds (distance) C4'-P energy: -62.734
bonds (distance) P-C4' energy: -65.000
flat angles C4'-P-C4' energy: -72.892
flat angles P-C4'-P energy: -48.630
tors. eta vs tors. theta energy: -96.836
Dist. restrs. and SS energy: 4.837 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -1070.601764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.601764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.899069 (E_RNA)
where:
Base-Base interactions energy: -766.808
where: short stacking energy: -299.763
Base-Backbone interact. energy: -1.722
local terms energy: -306.369521
where:
bonds (distance) C4'-P energy: -50.967
bonds (distance) P-C4' energy: -65.919
flat angles C4'-P-C4' energy: -74.808
flat angles P-C4'-P energy: -44.750
tors. eta vs tors. theta energy: -69.926
Dist. restrs. and SS energy: 4.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -1079.443679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.443679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.009421 (E_RNA)
where:
Base-Base interactions energy: -758.678
where: short stacking energy: -319.512
Base-Backbone interact. energy: -2.913
local terms energy: -322.418020
where:
bonds (distance) C4'-P energy: -57.411
bonds (distance) P-C4' energy: -65.865
flat angles C4'-P-C4' energy: -70.621
flat angles P-C4'-P energy: -43.697
tors. eta vs tors. theta energy: -84.824
Dist. restrs. and SS energy: 4.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -999.681425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.681425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.463974 (E_RNA)
where:
Base-Base interactions energy: -693.424
where: short stacking energy: -284.110
Base-Backbone interact. energy: -1.362
local terms energy: -308.677987
where:
bonds (distance) C4'-P energy: -68.559
bonds (distance) P-C4' energy: -61.141
flat angles C4'-P-C4' energy: -57.068
flat angles P-C4'-P energy: -45.390
tors. eta vs tors. theta energy: -76.519
Dist. restrs. and SS energy: 3.783 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -939.000950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.000950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.719034 (E_RNA)
where:
Base-Base interactions energy: -669.467
where: short stacking energy: -275.710
Base-Backbone interact. energy: -0.392
local terms energy: -272.860427
where:
bonds (distance) C4'-P energy: -57.072
bonds (distance) P-C4' energy: -58.179
flat angles C4'-P-C4' energy: -58.947
flat angles P-C4'-P energy: -35.021
tors. eta vs tors. theta energy: -63.642
Dist. restrs. and SS energy: 3.718 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -870.239094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.239094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.332639 (E_RNA)
where:
Base-Base interactions energy: -603.285
where: short stacking energy: -225.928
Base-Backbone interact. energy: -2.471
local terms energy: -270.576839
where:
bonds (distance) C4'-P energy: -56.981
bonds (distance) P-C4' energy: -62.312
flat angles C4'-P-C4' energy: -57.347
flat angles P-C4'-P energy: -38.822
tors. eta vs tors. theta energy: -55.116
Dist. restrs. and SS energy: 6.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -872.885071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.885071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.656810 (E_RNA)
where:
Base-Base interactions energy: -616.143
where: short stacking energy: -241.479
Base-Backbone interact. energy: 1.096
local terms energy: -267.609310
where:
bonds (distance) C4'-P energy: -57.877
bonds (distance) P-C4' energy: -48.660
flat angles C4'-P-C4' energy: -57.485
flat angles P-C4'-P energy: -33.943
tors. eta vs tors. theta energy: -69.645
Dist. restrs. and SS energy: 9.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -807.905193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.905193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.538154 (E_RNA)
where:
Base-Base interactions energy: -548.217
where: short stacking energy: -221.234
Base-Backbone interact. energy: -2.900
local terms energy: -264.421901
where:
bonds (distance) C4'-P energy: -60.259
bonds (distance) P-C4' energy: -55.358
flat angles C4'-P-C4' energy: -57.931
flat angles P-C4'-P energy: -37.158
tors. eta vs tors. theta energy: -53.715
Dist. restrs. and SS energy: 7.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -1204.385438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.385438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.305511 (E_RNA)
where:
Base-Base interactions energy: -840.332
where: short stacking energy: -339.494
Base-Backbone interact. energy: -2.345
local terms energy: -365.628340
where:
bonds (distance) C4'-P energy: -67.463
bonds (distance) P-C4' energy: -66.930
flat angles C4'-P-C4' energy: -79.004
flat angles P-C4'-P energy: -53.092
tors. eta vs tors. theta energy: -99.140
Dist. restrs. and SS energy: 3.920 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -1203.487158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.487158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.374938 (E_RNA)
where:
Base-Base interactions energy: -831.683
where: short stacking energy: -330.889
Base-Backbone interact. energy: 0.237
local terms energy: -374.929074
where:
bonds (distance) C4'-P energy: -70.209
bonds (distance) P-C4' energy: -71.127
flat angles C4'-P-C4' energy: -80.568
flat angles P-C4'-P energy: -53.183
tors. eta vs tors. theta energy: -99.843
Dist. restrs. and SS energy: 2.888 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -1100.684024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.684024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.910506 (E_RNA)
where:
Base-Base interactions energy: -769.904
where: short stacking energy: -313.032
Base-Backbone interact. energy: -2.353
local terms energy: -331.653650
where:
bonds (distance) C4'-P energy: -59.908
bonds (distance) P-C4' energy: -66.862
flat angles C4'-P-C4' energy: -68.782
flat angles P-C4'-P energy: -47.842
tors. eta vs tors. theta energy: -88.259
Dist. restrs. and SS energy: 3.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -1124.799950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.799950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.108820 (E_RNA)
where:
Base-Base interactions energy: -789.127
where: short stacking energy: -325.613
Base-Backbone interact. energy: 0.822
local terms energy: -340.803468
where:
bonds (distance) C4'-P energy: -66.188
bonds (distance) P-C4' energy: -60.882
flat angles C4'-P-C4' energy: -69.953
flat angles P-C4'-P energy: -48.512
tors. eta vs tors. theta energy: -95.268
Dist. restrs. and SS energy: 4.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -1074.801413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.801413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.477224 (E_RNA)
where:
Base-Base interactions energy: -783.401
where: short stacking energy: -288.515
Base-Backbone interact. energy: -0.565
local terms energy: -296.510490
where:
bonds (distance) C4'-P energy: -47.691
bonds (distance) P-C4' energy: -63.310
flat angles C4'-P-C4' energy: -75.551
flat angles P-C4'-P energy: -32.254
tors. eta vs tors. theta energy: -77.704
Dist. restrs. and SS energy: 5.676 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -992.614470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.614470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.001250 (E_RNA)
where:
Base-Base interactions energy: -687.008
where: short stacking energy: -264.390
Base-Backbone interact. energy: -1.039
local terms energy: -307.954298
where:
bonds (distance) C4'-P energy: -59.769
bonds (distance) P-C4' energy: -58.152
flat angles C4'-P-C4' energy: -69.547
flat angles P-C4'-P energy: -49.832
tors. eta vs tors. theta energy: -70.655
Dist. restrs. and SS energy: 3.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -941.593679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.593679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.840118 (E_RNA)
where:
Base-Base interactions energy: -665.533
where: short stacking energy: -269.887
Base-Backbone interact. energy: 0.256
local terms energy: -281.563674
where:
bonds (distance) C4'-P energy: -53.681
bonds (distance) P-C4' energy: -59.453
flat angles C4'-P-C4' energy: -69.184
flat angles P-C4'-P energy: -33.881
tors. eta vs tors. theta energy: -65.366
Dist. restrs. and SS energy: 5.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -865.573900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.573900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.236263 (E_RNA)
where:
Base-Base interactions energy: -597.163
where: short stacking energy: -236.669
Base-Backbone interact. energy: -1.332
local terms energy: -277.741588
where:
bonds (distance) C4'-P energy: -55.235
bonds (distance) P-C4' energy: -69.061
flat angles C4'-P-C4' energy: -50.535
flat angles P-C4'-P energy: -45.029
tors. eta vs tors. theta energy: -57.881
Dist. restrs. and SS energy: 10.662 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -854.894416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.894416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.194371 (E_RNA)
where:
Base-Base interactions energy: -614.880
where: short stacking energy: -237.779
Base-Backbone interact. energy: 8.078
local terms energy: -252.391493
where:
bonds (distance) C4'-P energy: -52.530
bonds (distance) P-C4' energy: -50.458
flat angles C4'-P-C4' energy: -61.197
flat angles P-C4'-P energy: -39.192
tors. eta vs tors. theta energy: -49.015
Dist. restrs. and SS energy: 4.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -837.865250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.865250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.158510 (E_RNA)
where:
Base-Base interactions energy: -592.052
where: short stacking energy: -242.904
Base-Backbone interact. energy: 0.435
local terms energy: -257.541141
where:
bonds (distance) C4'-P energy: -57.856
bonds (distance) P-C4' energy: -58.266
flat angles C4'-P-C4' energy: -55.918
flat angles P-C4'-P energy: -26.146
tors. eta vs tors. theta energy: -59.354
Dist. restrs. and SS energy: 11.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -1194.798077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.798077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.204749 (E_RNA)
where:
Base-Base interactions energy: -837.230
where: short stacking energy: -347.271
Base-Backbone interact. energy: 0.588
local terms energy: -361.562773
where:
bonds (distance) C4'-P energy: -55.332
bonds (distance) P-C4' energy: -79.551
flat angles C4'-P-C4' energy: -75.937
flat angles P-C4'-P energy: -54.055
tors. eta vs tors. theta energy: -96.688
Dist. restrs. and SS energy: 3.407 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -1204.232009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.232009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.674771 (E_RNA)
where:
Base-Base interactions energy: -846.741
where: short stacking energy: -330.232
Base-Backbone interact. energy: 1.829
local terms energy: -362.762576
where:
bonds (distance) C4'-P energy: -70.147
bonds (distance) P-C4' energy: -67.205
flat angles C4'-P-C4' energy: -78.100
flat angles P-C4'-P energy: -48.036
tors. eta vs tors. theta energy: -99.274
Dist. restrs. and SS energy: 3.443 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -1107.169737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.169737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.596457 (E_RNA)
where:
Base-Base interactions energy: -769.422
where: short stacking energy: -305.763
Base-Backbone interact. energy: -2.531
local terms energy: -338.643214
where:
bonds (distance) C4'-P energy: -62.943
bonds (distance) P-C4' energy: -71.657
flat angles C4'-P-C4' energy: -76.289
flat angles P-C4'-P energy: -45.450
tors. eta vs tors. theta energy: -82.305
Dist. restrs. and SS energy: 3.427 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -1110.624982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.624982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.027250 (E_RNA)
where:
Base-Base interactions energy: -767.664
where: short stacking energy: -315.264
Base-Backbone interact. energy: -0.809
local terms energy: -345.554413
where:
bonds (distance) C4'-P energy: -57.860
bonds (distance) P-C4' energy: -60.410
flat angles C4'-P-C4' energy: -78.089
flat angles P-C4'-P energy: -59.102
tors. eta vs tors. theta energy: -90.093
Dist. restrs. and SS energy: 3.402 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -1033.470247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.470247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.538849 (E_RNA)
where:
Base-Base interactions energy: -733.384
where: short stacking energy: -278.014
Base-Backbone interact. energy: -1.594
local terms energy: -302.560350
where:
bonds (distance) C4'-P energy: -48.135
bonds (distance) P-C4' energy: -65.073
flat angles C4'-P-C4' energy: -67.537
flat angles P-C4'-P energy: -44.347
tors. eta vs tors. theta energy: -77.467
Dist. restrs. and SS energy: 4.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -981.100879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.100879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.431817 (E_RNA)
where:
Base-Base interactions energy: -677.950
where: short stacking energy: -273.459
Base-Backbone interact. energy: 1.856
local terms energy: -308.337547
where:
bonds (distance) C4'-P energy: -55.398
bonds (distance) P-C4' energy: -65.974
flat angles C4'-P-C4' energy: -68.140
flat angles P-C4'-P energy: -47.921
tors. eta vs tors. theta energy: -70.905
Dist. restrs. and SS energy: 3.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -922.910023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.910023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.329738 (E_RNA)
where:
Base-Base interactions energy: -653.865
where: short stacking energy: -256.764
Base-Backbone interact. energy: 1.370
local terms energy: -274.834445
where:
bonds (distance) C4'-P energy: -51.945
bonds (distance) P-C4' energy: -47.554
flat angles C4'-P-C4' energy: -72.607
flat angles P-C4'-P energy: -34.368
tors. eta vs tors. theta energy: -68.361
Dist. restrs. and SS energy: 4.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -880.188069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.188069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.803927 (E_RNA)
where:
Base-Base interactions energy: -600.237
where: short stacking energy: -223.167
Base-Backbone interact. energy: -0.713
local terms energy: -282.854203
where:
bonds (distance) C4'-P energy: -57.791
bonds (distance) P-C4' energy: -64.597
flat angles C4'-P-C4' energy: -58.361
flat angles P-C4'-P energy: -41.379
tors. eta vs tors. theta energy: -60.726
Dist. restrs. and SS energy: 3.616 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -836.887501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.887501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.732909 (E_RNA)
where:
Base-Base interactions energy: -592.057
where: short stacking energy: -224.356
Base-Backbone interact. energy: -1.568
local terms energy: -249.107786
where:
bonds (distance) C4'-P energy: -38.449
bonds (distance) P-C4' energy: -55.491
flat angles C4'-P-C4' energy: -63.573
flat angles P-C4'-P energy: -36.399
tors. eta vs tors. theta energy: -55.195
Dist. restrs. and SS energy: 5.845 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -801.728349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.728349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.879159 (E_RNA)
where:
Base-Base interactions energy: -582.526
where: short stacking energy: -213.930
Base-Backbone interact. energy: 2.643
local terms energy: -232.996453
where:
bonds (distance) C4'-P energy: -49.966
bonds (distance) P-C4' energy: -40.347
flat angles C4'-P-C4' energy: -64.058
flat angles P-C4'-P energy: -34.437
tors. eta vs tors. theta energy: -44.189
Dist. restrs. and SS energy: 11.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -1213.997441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.997441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.591187 (E_RNA)
where:
Base-Base interactions energy: -850.911
where: short stacking energy: -355.839
Base-Backbone interact. energy: 0.041
local terms energy: -365.721738
where:
bonds (distance) C4'-P energy: -69.904
bonds (distance) P-C4' energy: -68.562
flat angles C4'-P-C4' energy: -67.658
flat angles P-C4'-P energy: -59.689
tors. eta vs tors. theta energy: -99.908
Dist. restrs. and SS energy: 2.594 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -1194.556592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.556592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.142650 (E_RNA)
where:
Base-Base interactions energy: -833.036
where: short stacking energy: -347.769
Base-Backbone interact. energy: -1.078
local terms energy: -363.028865
where:
bonds (distance) C4'-P energy: -62.859
bonds (distance) P-C4' energy: -69.668
flat angles C4'-P-C4' energy: -76.933
flat angles P-C4'-P energy: -51.389
tors. eta vs tors. theta energy: -102.180
Dist. restrs. and SS energy: 2.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -1146.608610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.608610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.863738 (E_RNA)
where:
Base-Base interactions energy: -809.220
where: short stacking energy: -334.862
Base-Backbone interact. energy: 1.579
local terms energy: -342.223003
where:
bonds (distance) C4'-P energy: -58.789
bonds (distance) P-C4' energy: -68.266
flat angles C4'-P-C4' energy: -67.841
flat angles P-C4'-P energy: -55.010
tors. eta vs tors. theta energy: -92.317
Dist. restrs. and SS energy: 3.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -1089.051768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.051768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.328381 (E_RNA)
where:
Base-Base interactions energy: -765.789
where: short stacking energy: -300.966
Base-Backbone interact. energy: -1.330
local terms energy: -324.209448
where:
bonds (distance) C4'-P energy: -59.064
bonds (distance) P-C4' energy: -69.215
flat angles C4'-P-C4' energy: -67.131
flat angles P-C4'-P energy: -53.497
tors. eta vs tors. theta energy: -75.303
Dist. restrs. and SS energy: 2.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -1065.700731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.700731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.417331 (E_RNA)
where:
Base-Base interactions energy: -753.220
where: short stacking energy: -308.467
Base-Backbone interact. energy: 0.281
local terms energy: -318.477820
where:
bonds (distance) C4'-P energy: -58.781
bonds (distance) P-C4' energy: -65.575
flat angles C4'-P-C4' energy: -69.934
flat angles P-C4'-P energy: -44.558
tors. eta vs tors. theta energy: -79.630
Dist. restrs. and SS energy: 5.717 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -996.320790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.320790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.700534 (E_RNA)
where:
Base-Base interactions energy: -704.931
where: short stacking energy: -273.406
Base-Backbone interact. energy: -1.014
local terms energy: -294.756191
where:
bonds (distance) C4'-P energy: -47.280
bonds (distance) P-C4' energy: -50.056
flat angles C4'-P-C4' energy: -74.478
flat angles P-C4'-P energy: -52.495
tors. eta vs tors. theta energy: -70.448
Dist. restrs. and SS energy: 4.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -924.492003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.492003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.715921 (E_RNA)
where:
Base-Base interactions energy: -649.061
where: short stacking energy: -268.461
Base-Backbone interact. energy: 0.135
local terms energy: -282.790351
where:
bonds (distance) C4'-P energy: -56.292
bonds (distance) P-C4' energy: -47.095
flat angles C4'-P-C4' energy: -64.775
flat angles P-C4'-P energy: -45.539
tors. eta vs tors. theta energy: -69.089
Dist. restrs. and SS energy: 7.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -878.421044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.421044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.989706 (E_RNA)
where:
Base-Base interactions energy: -597.224
where: short stacking energy: -233.904
Base-Backbone interact. energy: -1.188
local terms energy: -283.577623
where:
bonds (distance) C4'-P energy: -59.833
bonds (distance) P-C4' energy: -52.821
flat angles C4'-P-C4' energy: -68.332
flat angles P-C4'-P energy: -39.195
tors. eta vs tors. theta energy: -63.396
Dist. restrs. and SS energy: 3.569 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -854.021328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.021328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.077792 (E_RNA)
where:
Base-Base interactions energy: -603.196
where: short stacking energy: -238.913
Base-Backbone interact. energy: -0.746
local terms energy: -259.135335
where:
bonds (distance) C4'-P energy: -54.417
bonds (distance) P-C4' energy: -62.433
flat angles C4'-P-C4' energy: -50.237
flat angles P-C4'-P energy: -32.499
tors. eta vs tors. theta energy: -59.550
Dist. restrs. and SS energy: 9.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -784.304747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.304747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.006760 (E_RNA)
where:
Base-Base interactions energy: -534.579
where: short stacking energy: -202.593
Base-Backbone interact. energy: -1.286
local terms energy: -257.141862
where:
bonds (distance) C4'-P energy: -59.938
bonds (distance) P-C4' energy: -48.332
flat angles C4'-P-C4' energy: -60.352
flat angles P-C4'-P energy: -36.621
tors. eta vs tors. theta energy: -51.899
Dist. restrs. and SS energy: 8.702 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -1233.892600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.892600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.352986 (E_RNA)
where:
Base-Base interactions energy: -874.198
where: short stacking energy: -339.386
Base-Backbone interact. energy: 0.213
local terms energy: -362.367725
where:
bonds (distance) C4'-P energy: -72.157
bonds (distance) P-C4' energy: -64.395
flat angles C4'-P-C4' energy: -75.605
flat angles P-C4'-P energy: -53.569
tors. eta vs tors. theta energy: -96.642
Dist. restrs. and SS energy: 2.460 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -1191.581892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.581892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.309090 (E_RNA)
where:
Base-Base interactions energy: -819.179
where: short stacking energy: -352.914
Base-Backbone interact. energy: -2.982
local terms energy: -372.148080
where:
bonds (distance) C4'-P energy: -69.115
bonds (distance) P-C4' energy: -67.015
flat angles C4'-P-C4' energy: -74.486
flat angles P-C4'-P energy: -56.099
tors. eta vs tors. theta energy: -105.433
Dist. restrs. and SS energy: 2.727 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -1144.861060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.861060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.281881 (E_RNA)
where:
Base-Base interactions energy: -806.905
where: short stacking energy: -336.132
Base-Backbone interact. energy: -0.317
local terms energy: -341.059573
where:
bonds (distance) C4'-P energy: -56.233
bonds (distance) P-C4' energy: -73.264
flat angles C4'-P-C4' energy: -70.937
flat angles P-C4'-P energy: -45.983
tors. eta vs tors. theta energy: -94.643
Dist. restrs. and SS energy: 3.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -1082.212070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.212070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.319254 (E_RNA)
where:
Base-Base interactions energy: -760.750
where: short stacking energy: -294.086
Base-Backbone interact. energy: 2.714
local terms energy: -329.283148
where:
bonds (distance) C4'-P energy: -54.334
bonds (distance) P-C4' energy: -74.399
flat angles C4'-P-C4' energy: -67.908
flat angles P-C4'-P energy: -54.165
tors. eta vs tors. theta energy: -78.477
Dist. restrs. and SS energy: 5.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -1021.794089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.794089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.784495 (E_RNA)
where:
Base-Base interactions energy: -754.422
where: short stacking energy: -280.347
Base-Backbone interact. energy: 0.490
local terms energy: -273.852022
where:
bonds (distance) C4'-P energy: -40.133
bonds (distance) P-C4' energy: -54.981
flat angles C4'-P-C4' energy: -64.447
flat angles P-C4'-P energy: -45.641
tors. eta vs tors. theta energy: -68.650
Dist. restrs. and SS energy: 5.990 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -994.002712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.002712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.894512 (E_RNA)
where:
Base-Base interactions energy: -710.903
where: short stacking energy: -295.268
Base-Backbone interact. energy: -0.293
local terms energy: -285.699008
where:
bonds (distance) C4'-P energy: -62.068
bonds (distance) P-C4' energy: -65.070
flat angles C4'-P-C4' energy: -55.828
flat angles P-C4'-P energy: -34.886
tors. eta vs tors. theta energy: -67.847
Dist. restrs. and SS energy: 2.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -915.809685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.809685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.155133 (E_RNA)
where:
Base-Base interactions energy: -638.152
where: short stacking energy: -255.804
Base-Backbone interact. energy: 4.165
local terms energy: -285.168322
where:
bonds (distance) C4'-P energy: -60.693
bonds (distance) P-C4' energy: -65.047
flat angles C4'-P-C4' energy: -62.725
flat angles P-C4'-P energy: -38.673
tors. eta vs tors. theta energy: -58.030
Dist. restrs. and SS energy: 3.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -888.063412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.063412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.107047 (E_RNA)
where:
Base-Base interactions energy: -630.668
where: short stacking energy: -242.339
Base-Backbone interact. energy: -1.732
local terms energy: -262.706963
where:
bonds (distance) C4'-P energy: -45.491
bonds (distance) P-C4' energy: -44.006
flat angles C4'-P-C4' energy: -62.818
flat angles P-C4'-P energy: -41.069
tors. eta vs tors. theta energy: -69.323
Dist. restrs. and SS energy: 7.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -845.273388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.273388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.501185 (E_RNA)
where:
Base-Base interactions energy: -573.637
where: short stacking energy: -237.834
Base-Backbone interact. energy: -0.492
local terms energy: -279.372706
where:
bonds (distance) C4'-P energy: -61.300
bonds (distance) P-C4' energy: -49.452
flat angles C4'-P-C4' energy: -62.121
flat angles P-C4'-P energy: -46.887
tors. eta vs tors. theta energy: -59.612
Dist. restrs. and SS energy: 8.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -823.864818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.864818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.395739 (E_RNA)
where:
Base-Base interactions energy: -584.336
where: short stacking energy: -218.223
Base-Backbone interact. energy: -1.342
local terms energy: -248.718014
where:
bonds (distance) C4'-P energy: -58.184
bonds (distance) P-C4' energy: -51.622
flat angles C4'-P-C4' energy: -52.625
flat angles P-C4'-P energy: -31.028
tors. eta vs tors. theta energy: -55.259
Dist. restrs. and SS energy: 10.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -1243.887374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.887374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.112250 (E_RNA)
where:
Base-Base interactions energy: -891.148
where: short stacking energy: -347.046
Base-Backbone interact. energy: -2.940
local terms energy: -353.024916
where:
bonds (distance) C4'-P energy: -66.552
bonds (distance) P-C4' energy: -62.637
flat angles C4'-P-C4' energy: -71.783
flat angles P-C4'-P energy: -52.990
tors. eta vs tors. theta energy: -99.063
Dist. restrs. and SS energy: 3.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -1182.442765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.442765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.067708 (E_RNA)
where:
Base-Base interactions energy: -813.902
where: short stacking energy: -340.696
Base-Backbone interact. energy: 0.872
local terms energy: -373.038280
where:
bonds (distance) C4'-P energy: -75.336
bonds (distance) P-C4' energy: -66.493
flat angles C4'-P-C4' energy: -76.092
flat angles P-C4'-P energy: -54.041
tors. eta vs tors. theta energy: -101.076
Dist. restrs. and SS energy: 3.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -1146.031468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.031468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.135689 (E_RNA)
where:
Base-Base interactions energy: -809.417
where: short stacking energy: -319.604
Base-Backbone interact. energy: -0.710
local terms energy: -340.009220
where:
bonds (distance) C4'-P energy: -59.412
bonds (distance) P-C4' energy: -67.633
flat angles C4'-P-C4' energy: -67.861
flat angles P-C4'-P energy: -51.480
tors. eta vs tors. theta energy: -93.623
Dist. restrs. and SS energy: 4.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -1100.182527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.182527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.167385 (E_RNA)
where:
Base-Base interactions energy: -764.183
where: short stacking energy: -319.762
Base-Backbone interact. energy: -0.106
local terms energy: -340.878956
where:
bonds (distance) C4'-P energy: -59.605
bonds (distance) P-C4' energy: -65.367
flat angles C4'-P-C4' energy: -68.023
flat angles P-C4'-P energy: -53.058
tors. eta vs tors. theta energy: -94.826
Dist. restrs. and SS energy: 4.985 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -1018.413842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.413842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.713010 (E_RNA)
where:
Base-Base interactions energy: -726.123
where: short stacking energy: -291.651
Base-Backbone interact. energy: -1.743
local terms energy: -295.847544
where:
bonds (distance) C4'-P energy: -59.714
bonds (distance) P-C4' energy: -52.296
flat angles C4'-P-C4' energy: -67.510
flat angles P-C4'-P energy: -42.367
tors. eta vs tors. theta energy: -73.960
Dist. restrs. and SS energy: 5.299 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -1022.927011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.927011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.913110 (E_RNA)
where:
Base-Base interactions energy: -718.706
where: short stacking energy: -296.294
Base-Backbone interact. energy: -1.019
local terms energy: -307.188396
where:
bonds (distance) C4'-P energy: -59.799
bonds (distance) P-C4' energy: -66.244
flat angles C4'-P-C4' energy: -67.810
flat angles P-C4'-P energy: -40.184
tors. eta vs tors. theta energy: -73.151
Dist. restrs. and SS energy: 3.986 (S_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: 422
Temperature: 1.200000
Total energy: -926.375656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.375656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.509380 (E_RNA)
where:
Base-Base interactions energy: -632.560
where: short stacking energy: -253.898
Base-Backbone interact. energy: -2.087
local terms energy: -302.861844
where:
bonds (distance) C4'-P energy: -52.572
bonds (distance) P-C4' energy: -72.384
flat angles C4'-P-C4' energy: -74.462
flat angles P-C4'-P energy: -37.592
tors. eta vs tors. theta energy: -65.852
Dist. restrs. and SS energy: 11.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -899.432443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.432443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.697773 (E_RNA)
where:
Base-Base interactions energy: -625.563
where: short stacking energy: -244.941
Base-Backbone interact. energy: 3.574
local terms energy: -281.709503
where:
bonds (distance) C4'-P energy: -64.346
bonds (distance) P-C4' energy: -62.299
flat angles C4'-P-C4' energy: -62.579
flat angles P-C4'-P energy: -33.357
tors. eta vs tors. theta energy: -59.128
Dist. restrs. and SS energy: 4.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -866.161349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.161349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.802152 (E_RNA)
where:
Base-Base interactions energy: -624.015
where: short stacking energy: -235.453
Base-Backbone interact. energy: 2.556
local terms energy: -251.343032
where:
bonds (distance) C4'-P energy: -52.493
bonds (distance) P-C4' energy: -52.620
flat angles C4'-P-C4' energy: -56.616
flat angles P-C4'-P energy: -38.023
tors. eta vs tors. theta energy: -51.591
Dist. restrs. and SS energy: 6.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -842.244744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.244744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.676708 (E_RNA)
where:
Base-Base interactions energy: -581.631
where: short stacking energy: -221.614
Base-Backbone interact. energy: -1.119
local terms energy: -269.927055
where:
bonds (distance) C4'-P energy: -49.567
bonds (distance) P-C4' energy: -64.083
flat angles C4'-P-C4' energy: -61.816
flat angles P-C4'-P energy: -24.546
tors. eta vs tors. theta energy: -69.916
Dist. restrs. and SS energy: 10.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -1217.865469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.865469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.514410 (E_RNA)
where:
Base-Base interactions energy: -852.177
where: short stacking energy: -346.192
Base-Backbone interact. energy: -2.416
local terms energy: -365.921587
where:
bonds (distance) C4'-P energy: -70.964
bonds (distance) P-C4' energy: -69.512
flat angles C4'-P-C4' energy: -74.538
flat angles P-C4'-P energy: -49.012
tors. eta vs tors. theta energy: -101.894
Dist. restrs. and SS energy: 2.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -1161.374313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.374313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.529005 (E_RNA)
where:
Base-Base interactions energy: -794.807
where: short stacking energy: -327.247
Base-Backbone interact. energy: -3.006
local terms energy: -366.716242
where:
bonds (distance) C4'-P energy: -68.280
bonds (distance) P-C4' energy: -68.482
flat angles C4'-P-C4' energy: -73.609
flat angles P-C4'-P energy: -56.693
tors. eta vs tors. theta energy: -99.652
Dist. restrs. and SS energy: 3.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -1175.365207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.365207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.812617 (E_RNA)
where:
Base-Base interactions energy: -825.386
where: short stacking energy: -329.001
Base-Backbone interact. energy: -1.785
local terms energy: -351.640997
where:
bonds (distance) C4'-P energy: -66.086
bonds (distance) P-C4' energy: -66.906
flat angles C4'-P-C4' energy: -65.529
flat angles P-C4'-P energy: -56.765
tors. eta vs tors. theta energy: -96.355
Dist. restrs. and SS energy: 3.447 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -1097.837963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.837963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.435683 (E_RNA)
where:
Base-Base interactions energy: -757.879
where: short stacking energy: -314.721
Base-Backbone interact. energy: -2.185
local terms energy: -342.371363
where:
bonds (distance) C4'-P energy: -67.525
bonds (distance) P-C4' energy: -59.211
flat angles C4'-P-C4' energy: -74.464
flat angles P-C4'-P energy: -49.667
tors. eta vs tors. theta energy: -91.504
Dist. restrs. and SS energy: 4.598 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -1016.369122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.369122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.769465 (E_RNA)
where:
Base-Base interactions energy: -698.461
where: short stacking energy: -291.860
Base-Backbone interact. energy: -0.254
local terms energy: -320.054752
where:
bonds (distance) C4'-P energy: -59.002
bonds (distance) P-C4' energy: -64.827
flat angles C4'-P-C4' energy: -72.024
flat angles P-C4'-P energy: -51.047
tors. eta vs tors. theta energy: -73.155
Dist. restrs. and SS energy: 2.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -1017.176607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.176607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.341513 (E_RNA)
where:
Base-Base interactions energy: -709.459
where: short stacking energy: -296.363
Base-Backbone interact. energy: -2.360
local terms energy: -309.522072
where:
bonds (distance) C4'-P energy: -60.295
bonds (distance) P-C4' energy: -61.157
flat angles C4'-P-C4' energy: -62.821
flat angles P-C4'-P energy: -47.992
tors. eta vs tors. theta energy: -77.257
Dist. restrs. and SS energy: 4.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -941.013076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.013076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.950540 (E_RNA)
where:
Base-Base interactions energy: -644.021
where: short stacking energy: -270.952
Base-Backbone interact. energy: -0.412
local terms energy: -300.518198
where:
bonds (distance) C4'-P energy: -54.364
bonds (distance) P-C4' energy: -65.551
flat angles C4'-P-C4' energy: -77.084
flat angles P-C4'-P energy: -32.376
tors. eta vs tors. theta energy: -71.143
Dist. restrs. and SS energy: 3.937 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -881.618352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.618352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.914826 (E_RNA)
where:
Base-Base interactions energy: -617.714
where: short stacking energy: -250.426
Base-Backbone interact. energy: -0.066
local terms energy: -270.134108
where:
bonds (distance) C4'-P energy: -55.842
bonds (distance) P-C4' energy: -57.454
flat angles C4'-P-C4' energy: -59.935
flat angles P-C4'-P energy: -36.862
tors. eta vs tors. theta energy: -60.040
Dist. restrs. and SS energy: 6.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -853.299032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.299032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.287269 (E_RNA)
where:
Base-Base interactions energy: -584.567
where: short stacking energy: -224.339
Base-Backbone interact. energy: -0.750
local terms energy: -272.970133
where:
bonds (distance) C4'-P energy: -64.041
bonds (distance) P-C4' energy: -60.916
flat angles C4'-P-C4' energy: -56.538
flat angles P-C4'-P energy: -39.521
tors. eta vs tors. theta energy: -51.955
Dist. restrs. and SS energy: 4.988 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -855.869131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.869131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.505118 (E_RNA)
where:
Base-Base interactions energy: -619.380
where: short stacking energy: -235.354
Base-Backbone interact. energy: -0.974
local terms energy: -243.151117
where:
bonds (distance) C4'-P energy: -47.084
bonds (distance) P-C4' energy: -64.045
flat angles C4'-P-C4' energy: -50.579
flat angles P-C4'-P energy: -34.839
tors. eta vs tors. theta energy: -46.605
Dist. restrs. and SS energy: 7.636 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -1223.538925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.538925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.885639 (E_RNA)
where:
Base-Base interactions energy: -863.257
where: short stacking energy: -363.848
Base-Backbone interact. energy: -0.930
local terms energy: -362.698588
where:
bonds (distance) C4'-P energy: -71.030
bonds (distance) P-C4' energy: -62.068
flat angles C4'-P-C4' energy: -70.719
flat angles P-C4'-P energy: -54.832
tors. eta vs tors. theta energy: -104.050
Dist. restrs. and SS energy: 3.347 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -1177.805512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.805512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.163002 (E_RNA)
where:
Base-Base interactions energy: -816.932
where: short stacking energy: -365.377
Base-Backbone interact. energy: -0.608
local terms energy: -364.622450
where:
bonds (distance) C4'-P energy: -52.002
bonds (distance) P-C4' energy: -66.034
flat angles C4'-P-C4' energy: -83.546
flat angles P-C4'-P energy: -59.958
tors. eta vs tors. theta energy: -103.083
Dist. restrs. and SS energy: 4.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -1190.198539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.198539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.715332 (E_RNA)
where:
Base-Base interactions energy: -845.789
where: short stacking energy: -345.843
Base-Backbone interact. energy: -3.864
local terms energy: -344.062050
where:
bonds (distance) C4'-P energy: -56.684
bonds (distance) P-C4' energy: -68.335
flat angles C4'-P-C4' energy: -71.087
flat angles P-C4'-P energy: -47.927
tors. eta vs tors. theta energy: -100.029
Dist. restrs. and SS energy: 3.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -1080.492345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.492345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.497060 (E_RNA)
where:
Base-Base interactions energy: -749.341
where: short stacking energy: -310.931
Base-Backbone interact. energy: -3.247
local terms energy: -333.908977
where:
bonds (distance) C4'-P energy: -48.965
bonds (distance) P-C4' energy: -68.585
flat angles C4'-P-C4' energy: -78.604
flat angles P-C4'-P energy: -54.646
tors. eta vs tors. theta energy: -83.109
Dist. restrs. and SS energy: 6.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -1036.705250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.705250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.713369 (E_RNA)
where:
Base-Base interactions energy: -714.296
where: short stacking energy: -289.480
Base-Backbone interact. energy: -1.763
local terms energy: -324.653606
where:
bonds (distance) C4'-P energy: -62.751
bonds (distance) P-C4' energy: -55.335
flat angles C4'-P-C4' energy: -73.866
flat angles P-C4'-P energy: -52.504
tors. eta vs tors. theta energy: -80.198
Dist. restrs. and SS energy: 4.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -985.493106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.493106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.202991 (E_RNA)
where:
Base-Base interactions energy: -702.675
where: short stacking energy: -257.539
Base-Backbone interact. energy: -1.933
local terms energy: -285.595113
where:
bonds (distance) C4'-P energy: -60.544
bonds (distance) P-C4' energy: -64.048
flat angles C4'-P-C4' energy: -65.166
flat angles P-C4'-P energy: -32.458
tors. eta vs tors. theta energy: -63.379
Dist. restrs. and SS energy: 4.710 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -933.563297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.563297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.900321 (E_RNA)
where:
Base-Base interactions energy: -662.996
where: short stacking energy: -257.208
Base-Backbone interact. energy: -1.151
local terms energy: -277.753756
where:
bonds (distance) C4'-P energy: -58.087
bonds (distance) P-C4' energy: -51.093
flat angles C4'-P-C4' energy: -55.059
flat angles P-C4'-P energy: -41.490
tors. eta vs tors. theta energy: -72.025
Dist. restrs. and SS energy: 8.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -900.247523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.247523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.953897 (E_RNA)
where:
Base-Base interactions energy: -627.848
where: short stacking energy: -247.524
Base-Backbone interact. energy: 0.971
local terms energy: -278.076735
where:
bonds (distance) C4'-P energy: -58.433
bonds (distance) P-C4' energy: -55.593
flat angles C4'-P-C4' energy: -56.531
flat angles P-C4'-P energy: -41.191
tors. eta vs tors. theta energy: -66.329
Dist. restrs. and SS energy: 4.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -862.629766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.629766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.652223 (E_RNA)
where:
Base-Base interactions energy: -627.736
where: short stacking energy: -234.958
Base-Backbone interact. energy: -1.033
local terms energy: -245.882524
where:
bonds (distance) C4'-P energy: -49.093
bonds (distance) P-C4' energy: -47.774
flat angles C4'-P-C4' energy: -61.201
flat angles P-C4'-P energy: -40.139
tors. eta vs tors. theta energy: -47.674
Dist. restrs. and SS energy: 12.022 (S_DIST_RNA)
chem. 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: -833.301597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.301597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.048180 (E_RNA)
where:
Base-Base interactions energy: -603.466
where: short stacking energy: -222.183
Base-Backbone interact. energy: -1.847
local terms energy: -231.735401
where:
bonds (distance) C4'-P energy: -44.728
bonds (distance) P-C4' energy: -51.946
flat angles C4'-P-C4' energy: -56.083
flat angles P-C4'-P energy: -34.067
tors. eta vs tors. theta energy: -44.912
Dist. restrs. and SS energy: 3.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -1208.308787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.308787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.638981 (E_RNA)
where:
Base-Base interactions energy: -848.875
where: short stacking energy: -350.286
Base-Backbone interact. energy: 0.599
local terms energy: -363.362703
where:
bonds (distance) C4'-P energy: -76.042
bonds (distance) P-C4' energy: -63.592
flat angles C4'-P-C4' energy: -69.662
flat angles P-C4'-P energy: -62.849
tors. eta vs tors. theta energy: -91.219
Dist. restrs. and SS energy: 3.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -1186.243221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.243221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.567617 (E_RNA)
where:
Base-Base interactions energy: -820.256
where: short stacking energy: -360.525
Base-Backbone interact. energy: -1.509
local terms energy: -367.803332
where:
bonds (distance) C4'-P energy: -70.865
bonds (distance) P-C4' energy: -61.787
flat angles C4'-P-C4' energy: -76.729
flat angles P-C4'-P energy: -51.581
tors. eta vs tors. theta energy: -106.842
Dist. restrs. and SS energy: 3.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -1183.378181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.378181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.822590 (E_RNA)
where:
Base-Base interactions energy: -811.692
where: short stacking energy: -332.058
Base-Backbone interact. energy: -2.208
local terms energy: -371.922778
where:
bonds (distance) C4'-P energy: -61.706
bonds (distance) P-C4' energy: -76.461
flat angles C4'-P-C4' energy: -80.339
flat angles P-C4'-P energy: -54.276
tors. eta vs tors. theta energy: -99.141
Dist. restrs. and SS energy: 2.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -1103.156922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.156922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.388092 (E_RNA)
where:
Base-Base interactions energy: -768.237
where: short stacking energy: -311.796
Base-Backbone interact. energy: -1.086
local terms energy: -339.065062
where:
bonds (distance) C4'-P energy: -56.651
bonds (distance) P-C4' energy: -64.341
flat angles C4'-P-C4' energy: -72.908
flat angles P-C4'-P energy: -59.596
tors. eta vs tors. theta energy: -85.569
Dist. restrs. and SS energy: 5.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -1042.681950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.681950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.304960 (E_RNA)
where:
Base-Base interactions energy: -715.663
where: short stacking energy: -289.368
Base-Backbone interact. energy: -1.466
local terms energy: -329.175775
where:
bonds (distance) C4'-P energy: -45.994
bonds (distance) P-C4' energy: -63.617
flat angles C4'-P-C4' energy: -75.971
flat angles P-C4'-P energy: -58.817
tors. eta vs tors. theta energy: -84.777
Dist. restrs. and SS energy: 3.623 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -1043.581386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.581386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.364417 (E_RNA)
where:
Base-Base interactions energy: -749.116
where: short stacking energy: -285.996
Base-Backbone interact. energy: -0.817
local terms energy: -298.431766
where:
bonds (distance) C4'-P energy: -61.950
bonds (distance) P-C4' energy: -53.970
flat angles C4'-P-C4' energy: -65.175
flat angles P-C4'-P energy: -46.942
tors. eta vs tors. theta energy: -70.393
Dist. restrs. and SS energy: 4.783 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -992.720833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.720833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.992348 (E_RNA)
where:
Base-Base interactions energy: -702.281
where: short stacking energy: -279.466
Base-Backbone interact. energy: -1.504
local terms energy: -301.207163
where:
bonds (distance) C4'-P energy: -51.383
bonds (distance) P-C4' energy: -70.348
flat angles C4'-P-C4' energy: -59.664
flat angles P-C4'-P energy: -47.951
tors. eta vs tors. theta energy: -71.861
Dist. restrs. and SS energy: 12.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -879.695586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.695586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.456524 (E_RNA)
where:
Base-Base interactions energy: -613.739
where: short stacking energy: -240.052
Base-Backbone interact. energy: -0.408
local terms energy: -276.309651
where:
bonds (distance) C4'-P energy: -62.268
bonds (distance) P-C4' energy: -59.975
flat angles C4'-P-C4' energy: -60.984
flat angles P-C4'-P energy: -37.715
tors. eta vs tors. theta energy: -55.367
Dist. restrs. and SS energy: 10.761 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -873.833763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.833763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.405859 (E_RNA)
where:
Base-Base interactions energy: -608.424
where: short stacking energy: -240.947
Base-Backbone interact. energy: -2.469
local terms energy: -270.512836
where:
bonds (distance) C4'-P energy: -39.431
bonds (distance) P-C4' energy: -63.194
flat angles C4'-P-C4' energy: -59.648
flat angles P-C4'-P energy: -51.461
tors. eta vs tors. theta energy: -56.779
Dist. restrs. and SS energy: 7.572 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -881.559203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.559203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.168425 (E_RNA)
where:
Base-Base interactions energy: -619.646
where: short stacking energy: -252.222
Base-Backbone interact. energy: -1.939
local terms energy: -266.583674
where:
bonds (distance) C4'-P energy: -43.149
bonds (distance) P-C4' energy: -58.962
flat angles C4'-P-C4' energy: -65.234
flat angles P-C4'-P energy: -34.595
tors. eta vs tors. theta energy: -64.644
Dist. restrs. and SS energy: 6.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -1209.689835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.689835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.945012 (E_RNA)
where:
Base-Base interactions energy: -853.847
where: short stacking energy: -342.048
Base-Backbone interact. energy: -0.077
local terms energy: -359.020654
where:
bonds (distance) C4'-P energy: -66.142
bonds (distance) P-C4' energy: -63.391
flat angles C4'-P-C4' energy: -75.312
flat angles P-C4'-P energy: -51.390
tors. eta vs tors. theta energy: -102.785
Dist. restrs. and SS energy: 3.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -1189.255716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.255716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.420903 (E_RNA)
where:
Base-Base interactions energy: -839.338
where: short stacking energy: -348.636
Base-Backbone interact. energy: -1.063
local terms energy: -353.019791
where:
bonds (distance) C4'-P energy: -61.385
bonds (distance) P-C4' energy: -69.396
flat angles C4'-P-C4' energy: -67.427
flat angles P-C4'-P energy: -54.138
tors. eta vs tors. theta energy: -100.675
Dist. restrs. and SS energy: 4.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -1162.791414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.791414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.824263 (E_RNA)
where:
Base-Base interactions energy: -819.310
where: short stacking energy: -320.636
Base-Backbone interact. energy: -0.681
local terms energy: -347.833107
where:
bonds (distance) C4'-P energy: -58.400
bonds (distance) P-C4' energy: -67.139
flat angles C4'-P-C4' energy: -73.120
flat angles P-C4'-P energy: -46.965
tors. eta vs tors. theta energy: -102.208
Dist. restrs. and SS energy: 5.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -1082.342668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.342668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.213135 (E_RNA)
where:
Base-Base interactions energy: -779.280
where: short stacking energy: -306.363
Base-Backbone interact. energy: -1.705
local terms energy: -311.228300
where:
bonds (distance) C4'-P energy: -51.167
bonds (distance) P-C4' energy: -68.898
flat angles C4'-P-C4' energy: -57.512
flat angles P-C4'-P energy: -55.363
tors. eta vs tors. theta energy: -78.288
Dist. restrs. and SS energy: 9.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -1024.382537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.382537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.783564 (E_RNA)
where:
Base-Base interactions energy: -728.619
where: short stacking energy: -296.134
Base-Backbone interact. energy: -0.203
local terms energy: -298.961235
where:
bonds (distance) C4'-P energy: -53.908
bonds (distance) P-C4' energy: -67.795
flat angles C4'-P-C4' energy: -67.536
flat angles P-C4'-P energy: -35.438
tors. eta vs tors. theta energy: -74.285
Dist. restrs. and SS energy: 3.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -1010.170622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.170622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.759426 (E_RNA)
where:
Base-Base interactions energy: -710.100
where: short stacking energy: -285.671
Base-Backbone interact. energy: 0.632
local terms energy: -305.290889
where:
bonds (distance) C4'-P energy: -52.856
bonds (distance) P-C4' energy: -60.514
flat angles C4'-P-C4' energy: -63.568
flat angles P-C4'-P energy: -49.031
tors. eta vs tors. theta energy: -79.322
Dist. restrs. and SS energy: 4.589 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -918.697453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.697453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.730278 (E_RNA)
where:
Base-Base interactions energy: -644.133
where: short stacking energy: -255.655
Base-Backbone interact. energy: 0.594
local terms energy: -281.190861
where:
bonds (distance) C4'-P energy: -57.408
bonds (distance) P-C4' energy: -59.448
flat angles C4'-P-C4' energy: -67.218
flat angles P-C4'-P energy: -43.993
tors. eta vs tors. theta energy: -53.124
Dist. restrs. and SS energy: 6.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -903.774160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.774160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.177937 (E_RNA)
where:
Base-Base interactions energy: -647.308
where: short stacking energy: -251.091
Base-Backbone interact. energy: -2.223
local terms energy: -263.646674
where:
bonds (distance) C4'-P energy: -54.955
bonds (distance) P-C4' energy: -54.482
flat angles C4'-P-C4' energy: -48.730
flat angles P-C4'-P energy: -38.614
tors. eta vs tors. theta energy: -66.867
Dist. restrs. and SS energy: 9.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -888.901642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.901642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.972185 (E_RNA)
where:
Base-Base interactions energy: -622.462
where: short stacking energy: -252.816
Base-Backbone interact. energy: -1.633
local terms energy: -269.877648
where:
bonds (distance) C4'-P energy: -43.836
bonds (distance) P-C4' energy: -58.358
flat angles C4'-P-C4' energy: -65.882
flat angles P-C4'-P energy: -43.809
tors. eta vs tors. theta energy: -57.994
Dist. restrs. and SS energy: 5.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -824.744065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.744065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.284845 (E_RNA)
where:
Base-Base interactions energy: -581.247
where: short stacking energy: -233.065
Base-Backbone interact. energy: 2.275
local terms energy: -251.313299
where:
bonds (distance) C4'-P energy: -56.066
bonds (distance) P-C4' energy: -65.753
flat angles C4'-P-C4' energy: -59.851
flat angles P-C4'-P energy: -27.785
tors. eta vs tors. theta energy: -41.859
Dist. restrs. and SS energy: 5.541 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -1225.917509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.917509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.911804 (E_RNA)
where:
Base-Base interactions energy: -842.911
where: short stacking energy: -355.764
Base-Backbone interact. energy: -1.345
local terms energy: -384.655994
where:
bonds (distance) C4'-P energy: -69.811
bonds (distance) P-C4' energy: -71.303
flat angles C4'-P-C4' energy: -77.486
flat angles P-C4'-P energy: -58.898
tors. eta vs tors. theta energy: -107.158
Dist. restrs. and SS energy: 2.994 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -1190.717807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.717807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.378134 (E_RNA)
where:
Base-Base interactions energy: -833.560
where: short stacking energy: -339.722
Base-Backbone interact. energy: -2.661
local terms energy: -357.157084
where:
bonds (distance) C4'-P energy: -66.127
bonds (distance) P-C4' energy: -64.827
flat angles C4'-P-C4' energy: -68.027
flat angles P-C4'-P energy: -60.488
tors. eta vs tors. theta energy: -97.689
Dist. restrs. and SS energy: 2.660 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -1159.568401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.568401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.173450 (E_RNA)
where:
Base-Base interactions energy: -818.421
where: short stacking energy: -336.558
Base-Backbone interact. energy: 1.698
local terms energy: -345.450650
where:
bonds (distance) C4'-P energy: -58.385
bonds (distance) P-C4' energy: -64.072
flat angles C4'-P-C4' energy: -73.754
flat angles P-C4'-P energy: -49.117
tors. eta vs tors. theta energy: -100.122
Dist. restrs. and SS energy: 2.605 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -1089.804178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.804178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.131004 (E_RNA)
where:
Base-Base interactions energy: -756.578
where: short stacking energy: -299.581
Base-Backbone interact. energy: 1.163
local terms energy: -337.715737
where:
bonds (distance) C4'-P energy: -70.597
bonds (distance) P-C4' energy: -56.525
flat angles C4'-P-C4' energy: -76.976
flat angles P-C4'-P energy: -51.375
tors. eta vs tors. theta energy: -82.243
Dist. restrs. and SS energy: 3.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -1027.805981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.805981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.439155 (E_RNA)
where:
Base-Base interactions energy: -718.397
where: short stacking energy: -290.973
Base-Backbone interact. energy: -1.446
local terms energy: -314.596405
where:
bonds (distance) C4'-P energy: -63.897
bonds (distance) P-C4' energy: -65.602
flat angles C4'-P-C4' energy: -69.676
flat angles P-C4'-P energy: -35.316
tors. eta vs tors. theta energy: -80.106
Dist. restrs. and SS energy: 6.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -1002.080473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.080473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.208511 (E_RNA)
where:
Base-Base interactions energy: -696.912
where: short stacking energy: -293.534
Base-Backbone interact. energy: -0.644
local terms energy: -308.652368
where:
bonds (distance) C4'-P energy: -49.283
bonds (distance) P-C4' energy: -67.570
flat angles C4'-P-C4' energy: -67.896
flat angles P-C4'-P energy: -47.733
tors. eta vs tors. theta energy: -76.170
Dist. restrs. and SS energy: 4.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -908.120530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.120530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.550974 (E_RNA)
where:
Base-Base interactions energy: -622.323
where: short stacking energy: -248.783
Base-Backbone interact. energy: 1.213
local terms energy: -296.441301
where:
bonds (distance) C4'-P energy: -52.283
bonds (distance) P-C4' energy: -65.232
flat angles C4'-P-C4' energy: -70.076
flat angles P-C4'-P energy: -45.416
tors. eta vs tors. theta energy: -63.434
Dist. restrs. and SS energy: 9.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -900.927334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.927334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.248581 (E_RNA)
where:
Base-Base interactions energy: -660.433
where: short stacking energy: -246.138
Base-Backbone interact. energy: 1.150
local terms energy: -246.965754
where:
bonds (distance) C4'-P energy: -44.984
bonds (distance) P-C4' energy: -52.918
flat angles C4'-P-C4' energy: -65.525
flat angles P-C4'-P energy: -34.062
tors. eta vs tors. theta energy: -49.477
Dist. restrs. and SS energy: 5.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -879.584939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.584939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.472699 (E_RNA)
where:
Base-Base interactions energy: -627.475
where: short stacking energy: -254.886
Base-Backbone interact. energy: 0.080
local terms energy: -259.077557
where:
bonds (distance) C4'-P energy: -54.344
bonds (distance) P-C4' energy: -60.035
flat angles C4'-P-C4' energy: -56.763
flat angles P-C4'-P energy: -30.842
tors. eta vs tors. theta energy: -57.094
Dist. restrs. and SS energy: 6.888 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -837.939120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.939120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.592405 (E_RNA)
where:
Base-Base interactions energy: -581.500
where: short stacking energy: -213.851
Base-Backbone interact. energy: 0.287
local terms energy: -261.379588
where:
bonds (distance) C4'-P energy: -58.072
bonds (distance) P-C4' energy: -59.190
flat angles C4'-P-C4' energy: -63.772
flat angles P-C4'-P energy: -23.519
tors. eta vs tors. theta energy: -56.826
Dist. restrs. and SS energy: 4.653 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -1207.074258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.074258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.514869 (E_RNA)
where:
Base-Base interactions energy: -839.170
where: short stacking energy: -353.397
Base-Backbone interact. energy: 0.193
local terms energy: -371.537700
where:
bonds (distance) C4'-P energy: -73.247
bonds (distance) P-C4' energy: -64.752
flat angles C4'-P-C4' energy: -75.873
flat angles P-C4'-P energy: -54.951
tors. eta vs tors. theta energy: -102.715
Dist. restrs. and SS energy: 3.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -1203.553081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.553081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.571832 (E_RNA)
where:
Base-Base interactions energy: -854.842
where: short stacking energy: -343.976
Base-Backbone interact. energy: -0.313
local terms energy: -351.416368
where:
bonds (distance) C4'-P energy: -56.483
bonds (distance) P-C4' energy: -71.807
flat angles C4'-P-C4' energy: -67.774
flat angles P-C4'-P energy: -54.304
tors. eta vs tors. theta energy: -101.049
Dist. restrs. and SS energy: 3.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -1181.277246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.277246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.937598 (E_RNA)
where:
Base-Base interactions energy: -822.884
where: short stacking energy: -351.684
Base-Backbone interact. energy: -2.047
local terms energy: -360.006544
where:
bonds (distance) C4'-P energy: -61.875
bonds (distance) P-C4' energy: -62.179
flat angles C4'-P-C4' energy: -74.780
flat angles P-C4'-P energy: -56.212
tors. eta vs tors. theta energy: -104.960
Dist. restrs. and SS energy: 3.660 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -1041.895003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.895003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.012444 (E_RNA)
where:
Base-Base interactions energy: -740.526
where: short stacking energy: -291.351
Base-Backbone interact. energy: -1.772
local terms energy: -305.714632
where:
bonds (distance) C4'-P energy: -60.234
bonds (distance) P-C4' energy: -57.967
flat angles C4'-P-C4' energy: -70.272
flat angles P-C4'-P energy: -45.303
tors. eta vs tors. theta energy: -71.939
Dist. restrs. and SS energy: 6.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -1056.338761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.338761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.946874 (E_RNA)
where:
Base-Base interactions energy: -734.892
where: short stacking energy: -292.726
Base-Backbone interact. energy: -2.328
local terms energy: -324.727246
where:
bonds (distance) C4'-P energy: -68.281
bonds (distance) P-C4' energy: -74.626
flat angles C4'-P-C4' energy: -59.770
flat angles P-C4'-P energy: -47.437
tors. eta vs tors. theta energy: -74.612
Dist. restrs. and SS energy: 5.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -995.298126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.298126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.149957 (E_RNA)
where:
Base-Base interactions energy: -705.223
where: short stacking energy: -270.021
Base-Backbone interact. energy: 3.110
local terms energy: -298.037111
where:
bonds (distance) C4'-P energy: -53.359
bonds (distance) P-C4' energy: -66.056
flat angles C4'-P-C4' energy: -74.861
flat angles P-C4'-P energy: -36.715
tors. eta vs tors. theta energy: -67.046
Dist. restrs. and SS energy: 4.852 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -898.831921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.831921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.584045 (E_RNA)
where:
Base-Base interactions energy: -644.952
where: short stacking energy: -256.545
Base-Backbone interact. energy: -1.852
local terms energy: -258.779936
where:
bonds (distance) C4'-P energy: -57.953
bonds (distance) P-C4' energy: -57.971
flat angles C4'-P-C4' energy: -57.933
flat angles P-C4'-P energy: -30.088
tors. eta vs tors. theta energy: -54.835
Dist. restrs. and SS energy: 6.752 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -932.787757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.787757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.791189 (E_RNA)
where:
Base-Base interactions energy: -656.134
where: short stacking energy: -248.577
Base-Backbone interact. energy: -0.594
local terms energy: -281.063030
where:
bonds (distance) C4'-P energy: -56.613
bonds (distance) P-C4' energy: -52.151
flat angles C4'-P-C4' energy: -67.384
flat angles P-C4'-P energy: -41.787
tors. eta vs tors. theta energy: -63.129
Dist. restrs. and SS energy: 5.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -848.208810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.208810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.604998 (E_RNA)
where:
Base-Base interactions energy: -587.356
where: short stacking energy: -227.812
Base-Backbone interact. energy: -0.469
local terms energy: -266.779503
where:
bonds (distance) C4'-P energy: -53.185
bonds (distance) P-C4' energy: -66.716
flat angles C4'-P-C4' energy: -60.236
flat angles P-C4'-P energy: -38.730
tors. eta vs tors. theta energy: -47.913
Dist. restrs. and SS energy: 6.396 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -836.290869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.290869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.737210 (E_RNA)
where:
Base-Base interactions energy: -597.796
where: short stacking energy: -230.942
Base-Backbone interact. energy: 0.402
local terms energy: -245.342961
where:
bonds (distance) C4'-P energy: -46.111
bonds (distance) P-C4' energy: -55.032
flat angles C4'-P-C4' energy: -61.436
flat angles P-C4'-P energy: -31.777
tors. eta vs tors. theta energy: -50.988
Dist. restrs. and SS energy: 6.446 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -1189.242185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.242185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.419550 (E_RNA)
where:
Base-Base interactions energy: -812.349
where: short stacking energy: -346.923
Base-Backbone interact. energy: -0.764
local terms energy: -380.306129
where:
bonds (distance) C4'-P energy: -66.598
bonds (distance) P-C4' energy: -75.033
flat angles C4'-P-C4' energy: -84.637
flat angles P-C4'-P energy: -54.687
tors. eta vs tors. theta energy: -99.352
Dist. restrs. and SS energy: 4.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -1219.452917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.452917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.429356 (E_RNA)
where:
Base-Base interactions energy: -839.348
where: short stacking energy: -355.844
Base-Backbone interact. energy: -2.341
local terms energy: -380.740354
where:
bonds (distance) C4'-P energy: -62.375
bonds (distance) P-C4' energy: -73.210
flat angles C4'-P-C4' energy: -77.690
flat angles P-C4'-P energy: -60.632
tors. eta vs tors. theta energy: -106.834
Dist. restrs. and SS energy: 2.976 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -1176.100200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.100200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.474756 (E_RNA)
where:
Base-Base interactions energy: -812.328
where: short stacking energy: -327.812
Base-Backbone interact. energy: -2.147
local terms energy: -364.999968
where:
bonds (distance) C4'-P energy: -68.058
bonds (distance) P-C4' energy: -73.705
flat angles C4'-P-C4' energy: -71.272
flat angles P-C4'-P energy: -53.475
tors. eta vs tors. theta energy: -98.490
Dist. restrs. and SS energy: 3.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -1106.630970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.630970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.356535 (E_RNA)
where:
Base-Base interactions energy: -792.128
where: short stacking energy: -314.134
Base-Backbone interact. energy: 5.748
local terms energy: -328.977368
where:
bonds (distance) C4'-P energy: -60.692
bonds (distance) P-C4' energy: -74.052
flat angles C4'-P-C4' energy: -64.107
flat angles P-C4'-P energy: -47.386
tors. eta vs tors. theta energy: -82.742
Dist. restrs. and SS energy: 8.726 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -1059.773394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.773394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.286304 (E_RNA)
where:
Base-Base interactions energy: -749.075
where: short stacking energy: -312.507
Base-Backbone interact. energy: -1.187
local terms energy: -313.024699
where:
bonds (distance) C4'-P energy: -61.086
bonds (distance) P-C4' energy: -59.624
flat angles C4'-P-C4' energy: -64.319
flat angles P-C4'-P energy: -50.535
tors. eta vs tors. theta energy: -77.461
Dist. restrs. and SS energy: 3.513 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -990.382432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.382432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.574637 (E_RNA)
where:
Base-Base interactions energy: -667.295
where: short stacking energy: -272.536
Base-Backbone interact. energy: -3.119
local terms energy: -323.160924
where:
bonds (distance) C4'-P energy: -64.353
bonds (distance) P-C4' energy: -68.874
flat angles C4'-P-C4' energy: -65.076
flat angles P-C4'-P energy: -47.427
tors. eta vs tors. theta energy: -77.431
Dist. restrs. and SS energy: 3.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -939.827729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.827729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.403914 (E_RNA)
where:
Base-Base interactions energy: -665.674
where: short stacking energy: -259.484
Base-Backbone interact. energy: -1.291
local terms energy: -277.438698
where:
bonds (distance) C4'-P energy: -60.969
bonds (distance) P-C4' energy: -50.054
flat angles C4'-P-C4' energy: -65.582
flat angles P-C4'-P energy: -36.477
tors. eta vs tors. theta energy: -64.356
Dist. restrs. and SS energy: 4.576 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -867.584637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.584637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.914602 (E_RNA)
where:
Base-Base interactions energy: -606.959
where: short stacking energy: -235.307
Base-Backbone interact. energy: 0.401
local terms energy: -268.357158
where:
bonds (distance) C4'-P energy: -53.541
bonds (distance) P-C4' energy: -65.024
flat angles C4'-P-C4' energy: -58.619
flat angles P-C4'-P energy: -36.995
tors. eta vs tors. theta energy: -54.178
Dist. restrs. and SS energy: 7.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -879.097407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.097407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.169246 (E_RNA)
where:
Base-Base interactions energy: -636.092
where: short stacking energy: -240.154
Base-Backbone interact. energy: -0.260
local terms energy: -254.817090
where:
bonds (distance) C4'-P energy: -57.467
bonds (distance) P-C4' energy: -57.897
flat angles C4'-P-C4' energy: -51.598
flat angles P-C4'-P energy: -30.383
tors. eta vs tors. theta energy: -57.471
Dist. restrs. and SS energy: 12.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -874.308754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.308754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.022976 (E_RNA)
where:
Base-Base interactions energy: -628.349
where: short stacking energy: -236.064
Base-Backbone interact. energy: -1.848
local terms energy: -247.826130
where:
bonds (distance) C4'-P energy: -46.423
bonds (distance) P-C4' energy: -50.657
flat angles C4'-P-C4' energy: -56.183
flat angles P-C4'-P energy: -35.464
tors. eta vs tors. theta energy: -59.099
Dist. restrs. and SS energy: 3.714 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -1232.298938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.298938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.467255 (E_RNA)
where:
Base-Base interactions energy: -853.418
where: short stacking energy: -354.690
Base-Backbone interact. energy: -1.902
local terms energy: -380.147530
where:
bonds (distance) C4'-P energy: -68.003
bonds (distance) P-C4' energy: -70.069
flat angles C4'-P-C4' energy: -80.496
flat angles P-C4'-P energy: -57.755
tors. eta vs tors. theta energy: -103.824
Dist. restrs. and SS energy: 3.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -1196.444966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.444966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.751752 (E_RNA)
where:
Base-Base interactions energy: -833.529
where: short stacking energy: -351.163
Base-Backbone interact. energy: -0.158
local terms energy: -366.065643
where:
bonds (distance) C4'-P energy: -71.539
bonds (distance) P-C4' energy: -63.282
flat angles C4'-P-C4' energy: -80.162
flat angles P-C4'-P energy: -60.501
tors. eta vs tors. theta energy: -90.581
Dist. restrs. and SS energy: 3.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -1180.319549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.319549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.294135 (E_RNA)
where:
Base-Base interactions energy: -817.994
where: short stacking energy: -331.637
Base-Backbone interact. energy: -2.853
local terms energy: -362.446332
where:
bonds (distance) C4'-P energy: -66.034
bonds (distance) P-C4' energy: -71.806
flat angles C4'-P-C4' energy: -72.777
flat angles P-C4'-P energy: -53.814
tors. eta vs tors. theta energy: -98.016
Dist. restrs. and SS energy: 2.975 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -1086.481899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.481899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.936287 (E_RNA)
where:
Base-Base interactions energy: -746.419
where: short stacking energy: -302.263
Base-Backbone interact. energy: -3.204
local terms energy: -344.313336
where:
bonds (distance) C4'-P energy: -68.317
bonds (distance) P-C4' energy: -69.254
flat angles C4'-P-C4' energy: -76.002
flat angles P-C4'-P energy: -43.397
tors. eta vs tors. theta energy: -87.343
Dist. restrs. and SS energy: 7.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -1042.717690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.717690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.022151 (E_RNA)
where:
Base-Base interactions energy: -726.771
where: short stacking energy: -294.496
Base-Backbone interact. energy: -2.054
local terms energy: -319.196663
where:
bonds (distance) C4'-P energy: -56.371
bonds (distance) P-C4' energy: -67.797
flat angles C4'-P-C4' energy: -74.571
flat angles P-C4'-P energy: -46.510
tors. eta vs tors. theta energy: -73.948
Dist. restrs. and SS energy: 5.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -985.111148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.111148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.488777 (E_RNA)
where:
Base-Base interactions energy: -687.051
where: short stacking energy: -279.347
Base-Backbone interact. energy: -0.787
local terms energy: -302.650958
where:
bonds (distance) C4'-P energy: -46.639
bonds (distance) P-C4' energy: -57.389
flat angles C4'-P-C4' energy: -71.134
flat angles P-C4'-P energy: -48.262
tors. eta vs tors. theta energy: -79.227
Dist. restrs. and SS energy: 5.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -914.958265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.958265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.129064 (E_RNA)
where:
Base-Base interactions energy: -650.042
where: short stacking energy: -262.984
Base-Backbone interact. energy: -3.041
local terms energy: -274.045953
where:
bonds (distance) C4'-P energy: -59.588
bonds (distance) P-C4' energy: -51.605
flat angles C4'-P-C4' energy: -60.613
flat angles P-C4'-P energy: -40.654
tors. eta vs tors. theta energy: -61.586
Dist. restrs. and SS energy: 12.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -893.017375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.017375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.715218 (E_RNA)
where:
Base-Base interactions energy: -632.441
where: short stacking energy: -248.012
Base-Backbone interact. energy: 5.949
local terms energy: -273.222971
where:
bonds (distance) C4'-P energy: -50.615
bonds (distance) P-C4' energy: -62.579
flat angles C4'-P-C4' energy: -65.411
flat angles P-C4'-P energy: -41.010
tors. eta vs tors. theta energy: -53.607
Dist. restrs. and SS energy: 6.698 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -875.445728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.445728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.457498 (E_RNA)
where:
Base-Base interactions energy: -635.513
where: short stacking energy: -232.084
Base-Backbone interact. energy: 0.229
local terms energy: -244.174082
where:
bonds (distance) C4'-P energy: -39.278
bonds (distance) P-C4' energy: -63.287
flat angles C4'-P-C4' energy: -62.566
flat angles P-C4'-P energy: -27.414
tors. eta vs tors. theta energy: -51.630
Dist. restrs. and SS energy: 4.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -866.029215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.029215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.091085 (E_RNA)
where:
Base-Base interactions energy: -628.246
where: short stacking energy: -249.755
Base-Backbone interact. energy: -1.622
local terms energy: -243.223080
where:
bonds (distance) C4'-P energy: -46.854
bonds (distance) P-C4' energy: -39.704
flat angles C4'-P-C4' energy: -65.904
flat angles P-C4'-P energy: -31.367
tors. eta vs tors. theta energy: -59.393
Dist. restrs. and SS energy: 7.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -1237.661545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.661545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.466115 (E_RNA)
where:
Base-Base interactions energy: -863.669
where: short stacking energy: -362.274
Base-Backbone interact. energy: 0.848
local terms energy: -377.645373
where:
bonds (distance) C4'-P energy: -64.510
bonds (distance) P-C4' energy: -72.694
flat angles C4'-P-C4' energy: -77.425
flat angles P-C4'-P energy: -58.694
tors. eta vs tors. theta energy: -104.323
Dist. restrs. and SS energy: 2.805 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -1158.490232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.490232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.414678 (E_RNA)
where:
Base-Base interactions energy: -794.460
where: short stacking energy: -356.735
Base-Backbone interact. energy: 1.917
local terms energy: -368.871594
where:
bonds (distance) C4'-P energy: -70.974
bonds (distance) P-C4' energy: -63.731
flat angles C4'-P-C4' energy: -77.918
flat angles P-C4'-P energy: -50.622
tors. eta vs tors. theta energy: -105.626
Dist. restrs. and SS energy: 2.924 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -1167.539101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.539101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.966637 (E_RNA)
where:
Base-Base interactions energy: -832.059
where: short stacking energy: -342.518
Base-Backbone interact. energy: 0.425
local terms energy: -340.332142
where:
bonds (distance) C4'-P energy: -62.669
bonds (distance) P-C4' energy: -55.929
flat angles C4'-P-C4' energy: -69.806
flat angles P-C4'-P energy: -52.945
tors. eta vs tors. theta energy: -98.983
Dist. restrs. and SS energy: 4.428 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -1076.035588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.035588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.666873 (E_RNA)
where:
Base-Base interactions energy: -750.452
where: short stacking energy: -311.641
Base-Backbone interact. energy: 0.467
local terms energy: -333.681826
where:
bonds (distance) C4'-P energy: -62.261
bonds (distance) P-C4' energy: -69.509
flat angles C4'-P-C4' energy: -66.554
flat angles P-C4'-P energy: -47.864
tors. eta vs tors. theta energy: -87.495
Dist. restrs. and SS energy: 7.631 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -1049.462060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.462060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.228921 (E_RNA)
where:
Base-Base interactions energy: -744.231
where: short stacking energy: -291.347
Base-Backbone interact. energy: -2.016
local terms energy: -307.981181
where:
bonds (distance) C4'-P energy: -57.547
bonds (distance) P-C4' energy: -63.782
flat angles C4'-P-C4' energy: -76.449
flat angles P-C4'-P energy: -38.488
tors. eta vs tors. theta energy: -71.716
Dist. restrs. and SS energy: 4.767 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -998.522778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.522778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.331611 (E_RNA)
where:
Base-Base interactions energy: -685.621
where: short stacking energy: -283.592
Base-Backbone interact. energy: 0.481
local terms energy: -318.191125
where:
bonds (distance) C4'-P energy: -64.206
bonds (distance) P-C4' energy: -63.400
flat angles C4'-P-C4' energy: -64.911
flat angles P-C4'-P energy: -51.235
tors. eta vs tors. theta energy: -74.438
Dist. restrs. and SS energy: 4.809 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -951.685066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.685066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.367108 (E_RNA)
where:
Base-Base interactions energy: -668.910
where: short stacking energy: -245.597
Base-Backbone interact. energy: 0.483
local terms energy: -292.939992
where:
bonds (distance) C4'-P energy: -59.076
bonds (distance) P-C4' energy: -72.315
flat angles C4'-P-C4' energy: -61.563
flat angles P-C4'-P energy: -42.038
tors. eta vs tors. theta energy: -57.947
Dist. restrs. and SS energy: 9.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -879.326017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.326017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.009087 (E_RNA)
where:
Base-Base interactions energy: -606.330
where: short stacking energy: -246.780
Base-Backbone interact. energy: -2.157
local terms energy: -276.522633
where:
bonds (distance) C4'-P energy: -64.270
bonds (distance) P-C4' energy: -62.125
flat angles C4'-P-C4' energy: -60.685
flat angles P-C4'-P energy: -32.061
tors. eta vs tors. theta energy: -57.381
Dist. restrs. and SS energy: 5.683 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -841.076217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.076217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.575508 (E_RNA)
where:
Base-Base interactions energy: -593.095
where: short stacking energy: -222.947
Base-Backbone interact. energy: -1.363
local terms energy: -252.116960
where:
bonds (distance) C4'-P energy: -61.542
bonds (distance) P-C4' energy: -51.185
flat angles C4'-P-C4' energy: -61.805
flat angles P-C4'-P energy: -23.012
tors. eta vs tors. theta energy: -54.572
Dist. restrs. and SS energy: 5.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -836.339424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.339424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.104254 (E_RNA)
where:
Base-Base interactions energy: -610.824
where: short stacking energy: -233.649
Base-Backbone interact. energy: -0.450
local terms energy: -229.830140
where:
bonds (distance) C4'-P energy: -32.556
bonds (distance) P-C4' energy: -57.020
flat angles C4'-P-C4' energy: -58.700
flat angles P-C4'-P energy: -28.542
tors. eta vs tors. theta energy: -53.013
Dist. restrs. and SS energy: 4.765 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -1184.154595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.154595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.959195 (E_RNA)
where:
Base-Base interactions energy: -822.090
where: short stacking energy: -346.642
Base-Backbone interact. energy: -1.719
local terms energy: -363.149599
where:
bonds (distance) C4'-P energy: -66.686
bonds (distance) P-C4' energy: -74.809
flat angles C4'-P-C4' energy: -76.245
flat angles P-C4'-P energy: -45.219
tors. eta vs tors. theta energy: -100.190
Dist. restrs. and SS energy: 2.805 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -1192.149082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.149082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.001520 (E_RNA)
where:
Base-Base interactions energy: -842.673
where: short stacking energy: -355.114
Base-Backbone interact. energy: -1.788
local terms energy: -350.541042
where:
bonds (distance) C4'-P energy: -50.954
bonds (distance) P-C4' energy: -71.984
flat angles C4'-P-C4' energy: -74.434
flat angles P-C4'-P energy: -54.644
tors. eta vs tors. theta energy: -98.525
Dist. restrs. and SS energy: 2.852 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -1184.714765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.714765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.374932 (E_RNA)
where:
Base-Base interactions energy: -825.302
where: short stacking energy: -344.043
Base-Backbone interact. energy: -1.692
local terms energy: -360.380824
where:
bonds (distance) C4'-P energy: -57.804
bonds (distance) P-C4' energy: -64.257
flat angles C4'-P-C4' energy: -83.506
flat angles P-C4'-P energy: -52.944
tors. eta vs tors. theta energy: -101.870
Dist. restrs. and SS energy: 2.660 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -1096.700751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.700751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.374042 (E_RNA)
where:
Base-Base interactions energy: -766.665
where: short stacking energy: -321.267
Base-Backbone interact. energy: 0.210
local terms energy: -336.919066
where:
bonds (distance) C4'-P energy: -61.452
bonds (distance) P-C4' energy: -62.395
flat angles C4'-P-C4' energy: -69.334
flat angles P-C4'-P energy: -62.520
tors. eta vs tors. theta energy: -81.218
Dist. restrs. and SS energy: 6.673 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -1027.381390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.381390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.565511 (E_RNA)
where:
Base-Base interactions energy: -709.520
where: short stacking energy: -277.039
Base-Backbone interact. energy: -1.252
local terms energy: -319.792589
where:
bonds (distance) C4'-P energy: -50.280
bonds (distance) P-C4' energy: -70.932
flat angles C4'-P-C4' energy: -75.412
flat angles P-C4'-P energy: -55.016
tors. eta vs tors. theta energy: -68.152
Dist. restrs. and SS energy: 3.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -997.366231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.366231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.813784 (E_RNA)
where:
Base-Base interactions energy: -714.821
where: short stacking energy: -270.502
Base-Backbone interact. energy: -2.185
local terms energy: -283.807352
where:
bonds (distance) C4'-P energy: -55.520
bonds (distance) P-C4' energy: -49.649
flat angles C4'-P-C4' energy: -62.648
flat angles P-C4'-P energy: -46.453
tors. eta vs tors. theta energy: -69.537
Dist. restrs. and SS energy: 3.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -913.327346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.327346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.288800 (E_RNA)
where:
Base-Base interactions energy: -656.083
where: short stacking energy: -265.436
Base-Backbone interact. energy: 0.393
local terms energy: -264.598804
where:
bonds (distance) C4'-P energy: -55.040
bonds (distance) P-C4' energy: -59.602
flat angles C4'-P-C4' energy: -56.478
flat angles P-C4'-P energy: -40.213
tors. eta vs tors. theta energy: -53.266
Dist. restrs. and SS energy: 6.961 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -887.192888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.192888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.122385 (E_RNA)
where:
Base-Base interactions energy: -630.265
where: short stacking energy: -252.559
Base-Backbone interact. energy: 0.086
local terms energy: -263.942945
where:
bonds (distance) C4'-P energy: -51.019
bonds (distance) P-C4' energy: -57.329
flat angles C4'-P-C4' energy: -62.612
flat angles P-C4'-P energy: -41.379
tors. eta vs tors. theta energy: -51.604
Dist. restrs. and SS energy: 6.929 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -898.124266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.124266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.943712 (E_RNA)
where:
Base-Base interactions energy: -641.423
where: short stacking energy: -252.585
Base-Backbone interact. energy: -1.478
local terms energy: -263.042684
where:
bonds (distance) C4'-P energy: -46.504
bonds (distance) P-C4' energy: -49.605
flat angles C4'-P-C4' energy: -56.027
flat angles P-C4'-P energy: -33.919
tors. eta vs tors. theta energy: -76.987
Dist. restrs. and SS energy: 7.819 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -803.508004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.508004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.845837 (E_RNA)
where:
Base-Base interactions energy: -553.079
where: short stacking energy: -212.818
Base-Backbone interact. energy: 1.716
local terms energy: -263.482175
where:
bonds (distance) C4'-P energy: -60.535
bonds (distance) P-C4' energy: -59.739
flat angles C4'-P-C4' energy: -53.999
flat angles P-C4'-P energy: -32.070
tors. eta vs tors. theta energy: -57.138
Dist. restrs. and SS energy: 11.338 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -1190.197394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.197394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.692685 (E_RNA)
where:
Base-Base interactions energy: -828.752
where: short stacking energy: -352.553
Base-Backbone interact. energy: -1.252
local terms energy: -363.688480
where:
bonds (distance) C4'-P energy: -66.314
bonds (distance) P-C4' energy: -64.913
flat angles C4'-P-C4' energy: -81.725
flat angles P-C4'-P energy: -56.902
tors. eta vs tors. theta energy: -93.834
Dist. restrs. and SS energy: 3.495 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -1172.557116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.557116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.498348 (E_RNA)
where:
Base-Base interactions energy: -803.291
where: short stacking energy: -324.741
Base-Backbone interact. energy: -3.758
local terms energy: -368.449334
where:
bonds (distance) C4'-P energy: -64.797
bonds (distance) P-C4' energy: -72.759
flat angles C4'-P-C4' energy: -80.398
flat angles P-C4'-P energy: -53.584
tors. eta vs tors. theta energy: -96.911
Dist. restrs. and SS energy: 2.941 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -1155.004260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.004260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.031152 (E_RNA)
where:
Base-Base interactions energy: -818.626
where: short stacking energy: -339.292
Base-Backbone interact. energy: -0.505
local terms energy: -338.899923
where:
bonds (distance) C4'-P energy: -56.612
bonds (distance) P-C4' energy: -61.467
flat angles C4'-P-C4' energy: -74.009
flat angles P-C4'-P energy: -54.855
tors. eta vs tors. theta energy: -91.957
Dist. restrs. and SS energy: 3.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -1089.149565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.149565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.421597 (E_RNA)
where:
Base-Base interactions energy: -767.162
where: short stacking energy: -310.624
Base-Backbone interact. energy: -1.602
local terms energy: -324.657177
where:
bonds (distance) C4'-P energy: -60.494
bonds (distance) P-C4' energy: -66.254
flat angles C4'-P-C4' energy: -69.567
flat angles P-C4'-P energy: -46.679
tors. eta vs tors. theta energy: -81.664
Dist. restrs. and SS energy: 4.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -1050.900349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.900349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.102439 (E_RNA)
where:
Base-Base interactions energy: -722.824
where: short stacking energy: -291.059
Base-Backbone interact. energy: 0.780
local terms energy: -332.058685
where:
bonds (distance) C4'-P energy: -61.575
bonds (distance) P-C4' energy: -61.401
flat angles C4'-P-C4' energy: -75.794
flat angles P-C4'-P energy: -48.404
tors. eta vs tors. theta energy: -84.884
Dist. restrs. and SS energy: 3.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -984.623117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.623117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.776728 (E_RNA)
where:
Base-Base interactions energy: -685.655
where: short stacking energy: -273.609
Base-Backbone interact. energy: -0.773
local terms energy: -302.349111
where:
bonds (distance) C4'-P energy: -63.981
bonds (distance) P-C4' energy: -69.611
flat angles C4'-P-C4' energy: -59.361
flat angles P-C4'-P energy: -38.572
tors. eta vs tors. theta energy: -70.824
Dist. restrs. and SS energy: 4.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -918.967618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.967618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.428626 (E_RNA)
where:
Base-Base interactions energy: -646.433
where: short stacking energy: -257.497
Base-Backbone interact. energy: 1.637
local terms energy: -282.632877
where:
bonds (distance) C4'-P energy: -62.430
bonds (distance) P-C4' energy: -56.448
flat angles C4'-P-C4' energy: -64.005
flat angles P-C4'-P energy: -42.838
tors. eta vs tors. theta energy: -56.913
Dist. restrs. and SS energy: 8.461 (S_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: 433
Temperature: 1.250000
Total energy: -900.186197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.186197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.904370 (E_RNA)
where:
Base-Base interactions energy: -636.631
where: short stacking energy: -254.633
Base-Backbone interact. energy: 0.397
local terms energy: -274.669898
where:
bonds (distance) C4'-P energy: -55.157
bonds (distance) P-C4' energy: -69.060
flat angles C4'-P-C4' energy: -62.297
flat angles P-C4'-P energy: -39.702
tors. eta vs tors. theta energy: -48.454
Dist. restrs. and SS energy: 10.718 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -912.534146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.534146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.282736 (E_RNA)
where:
Base-Base interactions energy: -638.798
where: short stacking energy: -266.731
Base-Backbone interact. energy: -1.233
local terms energy: -277.252180
where:
bonds (distance) C4'-P energy: -54.467
bonds (distance) P-C4' energy: -72.745
flat angles C4'-P-C4' energy: -61.027
flat angles P-C4'-P energy: -28.592
tors. eta vs tors. theta energy: -60.421
Dist. restrs. and SS energy: 4.749 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -772.068390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.068390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.067793 (E_RNA)
where:
Base-Base interactions energy: -538.504
where: short stacking energy: -228.780
Base-Backbone interact. energy: 5.021
local terms energy: -255.583997
where:
bonds (distance) C4'-P energy: -55.631
bonds (distance) P-C4' energy: -54.063
flat angles C4'-P-C4' energy: -58.638
flat angles P-C4'-P energy: -41.917
tors. eta vs tors. theta energy: -45.335
Dist. restrs. and SS energy: 16.999 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -1201.906942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.906942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.286908 (E_RNA)
where:
Base-Base interactions energy: -831.746
where: short stacking energy: -353.192
Base-Backbone interact. energy: -1.277
local terms energy: -372.264777
where:
bonds (distance) C4'-P energy: -76.252
bonds (distance) P-C4' energy: -66.390
flat angles C4'-P-C4' energy: -77.599
flat angles P-C4'-P energy: -52.323
tors. eta vs tors. theta energy: -99.701
Dist. restrs. and SS energy: 3.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -1173.800543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.800543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.438656 (E_RNA)
where:
Base-Base interactions energy: -818.583
where: short stacking energy: -334.709
Base-Backbone interact. energy: -1.487
local terms energy: -357.368571
where:
bonds (distance) C4'-P energy: -68.251
bonds (distance) P-C4' energy: -69.110
flat angles C4'-P-C4' energy: -71.448
flat angles P-C4'-P energy: -46.726
tors. eta vs tors. theta energy: -101.834
Dist. restrs. and SS energy: 3.638 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -1167.310020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.310020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.985102 (E_RNA)
where:
Base-Base interactions energy: -807.827
where: short stacking energy: -327.588
Base-Backbone interact. energy: -1.827
local terms energy: -361.331710
where:
bonds (distance) C4'-P energy: -67.268
bonds (distance) P-C4' energy: -71.472
flat angles C4'-P-C4' energy: -82.485
flat angles P-C4'-P energy: -47.953
tors. eta vs tors. theta energy: -92.154
Dist. restrs. and SS energy: 3.675 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -1060.508824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.508824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.413959 (E_RNA)
where:
Base-Base interactions energy: -754.909
where: short stacking energy: -292.005
Base-Backbone interact. energy: -0.907
local terms energy: -308.598791
where:
bonds (distance) C4'-P energy: -60.451
bonds (distance) P-C4' energy: -63.352
flat angles C4'-P-C4' energy: -59.644
flat angles P-C4'-P energy: -46.043
tors. eta vs tors. theta energy: -79.109
Dist. restrs. and SS energy: 3.905 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -1030.204200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.204200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.853311 (E_RNA)
where:
Base-Base interactions energy: -709.859
where: short stacking energy: -282.429
Base-Backbone interact. energy: -2.948
local terms energy: -321.046613
where:
bonds (distance) C4'-P energy: -61.798
bonds (distance) P-C4' energy: -67.566
flat angles C4'-P-C4' energy: -69.942
flat angles P-C4'-P energy: -47.888
tors. eta vs tors. theta energy: -73.852
Dist. restrs. and SS energy: 3.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -969.632902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.632902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.767289 (E_RNA)
where:
Base-Base interactions energy: -667.385
where: short stacking energy: -271.965
Base-Backbone interact. energy: -1.133
local terms energy: -305.249439
where:
bonds (distance) C4'-P energy: -55.050
bonds (distance) P-C4' energy: -69.430
flat angles C4'-P-C4' energy: -71.309
flat angles P-C4'-P energy: -37.455
tors. eta vs tors. theta energy: -72.006
Dist. restrs. and SS energy: 4.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -925.912281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.912281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.943752 (E_RNA)
where:
Base-Base interactions energy: -656.111
where: short stacking energy: -255.631
Base-Backbone interact. energy: -3.008
local terms energy: -272.824670
where:
bonds (distance) C4'-P energy: -56.914
bonds (distance) P-C4' energy: -65.409
flat angles C4'-P-C4' energy: -55.791
flat angles P-C4'-P energy: -41.008
tors. eta vs tors. theta energy: -53.703
Dist. restrs. and SS energy: 6.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -911.578752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.578752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.442353 (E_RNA)
where:
Base-Base interactions energy: -647.621
where: short stacking energy: -264.108
Base-Backbone interact. energy: 3.315
local terms energy: -274.136284
where:
bonds (distance) C4'-P energy: -61.024
bonds (distance) P-C4' energy: -58.723
flat angles C4'-P-C4' energy: -51.542
flat angles P-C4'-P energy: -48.770
tors. eta vs tors. theta energy: -54.077
Dist. restrs. and SS energy: 6.864 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -906.208782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.208782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.939320 (E_RNA)
where:
Base-Base interactions energy: -623.321
where: short stacking energy: -237.435
Base-Backbone interact. energy: -1.223
local terms energy: -287.395052
where:
bonds (distance) C4'-P energy: -65.152
bonds (distance) P-C4' energy: -52.974
flat angles C4'-P-C4' energy: -56.626
flat angles P-C4'-P energy: -38.766
tors. eta vs tors. theta energy: -73.877
Dist. restrs. and SS energy: 5.731 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -802.021940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.021940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.296467 (E_RNA)
where:
Base-Base interactions energy: -570.967
where: short stacking energy: -239.368
Base-Backbone interact. energy: -0.167
local terms energy: -246.162130
where:
bonds (distance) C4'-P energy: -36.943
bonds (distance) P-C4' energy: -49.255
flat angles C4'-P-C4' energy: -53.877
flat angles P-C4'-P energy: -38.212
tors. eta vs tors. theta energy: -67.875
Dist. restrs. and SS energy: 15.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -1182.534780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.534780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.704318 (E_RNA)
where:
Base-Base interactions energy: -807.348
where: short stacking energy: -352.607
Base-Backbone interact. energy: -3.311
local terms energy: -376.045466
where:
bonds (distance) C4'-P energy: -66.705
bonds (distance) P-C4' energy: -77.259
flat angles C4'-P-C4' energy: -77.113
flat angles P-C4'-P energy: -58.132
tors. eta vs tors. theta energy: -96.836
Dist. restrs. and SS energy: 4.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -1191.620832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.620832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.819161 (E_RNA)
where:
Base-Base interactions energy: -829.393
where: short stacking energy: -346.048
Base-Backbone interact. energy: -1.987
local terms energy: -364.439881
where:
bonds (distance) C4'-P energy: -66.947
bonds (distance) P-C4' energy: -57.663
flat angles C4'-P-C4' energy: -77.982
flat angles P-C4'-P energy: -59.131
tors. eta vs tors. theta energy: -102.718
Dist. restrs. and SS energy: 4.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -1143.699747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.699747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.956356 (E_RNA)
where:
Base-Base interactions energy: -786.995
where: short stacking energy: -330.231
Base-Backbone interact. energy: -2.168
local terms energy: -357.793724
where:
bonds (distance) C4'-P energy: -66.415
bonds (distance) P-C4' energy: -65.133
flat angles C4'-P-C4' energy: -77.140
flat angles P-C4'-P energy: -55.476
tors. eta vs tors. theta energy: -93.629
Dist. restrs. and SS energy: 3.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -1055.590879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.590879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.144709 (E_RNA)
where:
Base-Base interactions energy: -747.694
where: short stacking energy: -293.656
Base-Backbone interact. energy: -2.169
local terms energy: -308.281374
where:
bonds (distance) C4'-P energy: -52.724
bonds (distance) P-C4' energy: -60.705
flat angles C4'-P-C4' energy: -75.203
flat angles P-C4'-P energy: -40.638
tors. eta vs tors. theta energy: -79.012
Dist. restrs. and SS energy: 2.554 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -1030.532877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.532877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.421361 (E_RNA)
where:
Base-Base interactions energy: -715.522
where: short stacking energy: -300.721
Base-Backbone interact. energy: 2.347
local terms energy: -320.246362
where:
bonds (distance) C4'-P energy: -54.139
bonds (distance) P-C4' energy: -62.575
flat angles C4'-P-C4' energy: -72.611
flat angles P-C4'-P energy: -51.017
tors. eta vs tors. theta energy: -79.905
Dist. restrs. and SS energy: 2.888 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -1019.463913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.463913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.251840 (E_RNA)
where:
Base-Base interactions energy: -717.588
where: short stacking energy: -285.662
Base-Backbone interact. energy: -2.858
local terms energy: -301.805979
where:
bonds (distance) C4'-P energy: -49.281
bonds (distance) P-C4' energy: -68.025
flat angles C4'-P-C4' energy: -64.623
flat angles P-C4'-P energy: -38.348
tors. eta vs tors. theta energy: -81.529
Dist. restrs. and SS energy: 2.788 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -909.264090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.264090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.801654 (E_RNA)
where:
Base-Base interactions energy: -640.839
where: short stacking energy: -245.087
Base-Backbone interact. energy: -1.401
local terms energy: -273.562009
where:
bonds (distance) C4'-P energy: -54.296
bonds (distance) P-C4' energy: -55.128
flat angles C4'-P-C4' energy: -69.946
flat angles P-C4'-P energy: -35.662
tors. eta vs tors. theta energy: -58.530
Dist. restrs. and SS energy: 6.538 (S_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: 435
Temperature: 1.250000
Total energy: -892.090901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.090901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.460554 (E_RNA)
where:
Base-Base interactions energy: -633.955
where: short stacking energy: -258.899
Base-Backbone interact. energy: -4.012
local terms energy: -263.493938
where:
bonds (distance) C4'-P energy: -53.970
bonds (distance) P-C4' energy: -55.271
flat angles C4'-P-C4' energy: -57.259
flat angles P-C4'-P energy: -38.316
tors. eta vs tors. theta energy: -58.678
Dist. restrs. and SS energy: 9.370 (S_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: 435
Temperature: 1.300000
Total energy: -883.249556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.249556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.629946 (E_RNA)
where:
Base-Base interactions energy: -618.164
where: short stacking energy: -252.907
Base-Backbone interact. energy: 0.749
local terms energy: -274.215655
where:
bonds (distance) C4'-P energy: -62.391
bonds (distance) P-C4' energy: -52.548
flat angles C4'-P-C4' energy: -49.060
flat angles P-C4'-P energy: -40.062
tors. eta vs tors. theta energy: -70.153
Dist. restrs. and SS energy: 8.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -784.059656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.059656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.535809 (E_RNA)
where:
Base-Base interactions energy: -552.795
where: short stacking energy: -216.143
Base-Backbone interact. energy: 0.889
local terms energy: -241.629981
where:
bonds (distance) C4'-P energy: -55.029
bonds (distance) P-C4' energy: -60.283
flat angles C4'-P-C4' energy: -45.182
flat angles P-C4'-P energy: -39.206
tors. eta vs tors. theta energy: -41.929
Dist. restrs. and SS energy: 9.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -1227.224868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.224868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.219225 (E_RNA)
where:
Base-Base interactions energy: -846.607
where: short stacking energy: -344.613
Base-Backbone interact. energy: -1.420
local terms energy: -382.192755
where:
bonds (distance) C4'-P energy: -72.773
bonds (distance) P-C4' energy: -76.247
flat angles C4'-P-C4' energy: -78.492
flat angles P-C4'-P energy: -52.124
tors. eta vs tors. theta energy: -102.556
Dist. restrs. and SS energy: 2.994 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -1189.367164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.367164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.477330 (E_RNA)
where:
Base-Base interactions energy: -835.962
where: short stacking energy: -349.092
Base-Backbone interact. energy: -3.257
local terms energy: -354.258393
where:
bonds (distance) C4'-P energy: -70.015
bonds (distance) P-C4' energy: -62.213
flat angles C4'-P-C4' energy: -73.549
flat angles P-C4'-P energy: -52.790
tors. eta vs tors. theta energy: -95.691
Dist. restrs. and SS energy: 4.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -1154.688980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.688980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.717611 (E_RNA)
where:
Base-Base interactions energy: -808.357
where: short stacking energy: -339.108
Base-Backbone interact. energy: -2.378
local terms energy: -347.982558
where:
bonds (distance) C4'-P energy: -62.249
bonds (distance) P-C4' energy: -66.765
flat angles C4'-P-C4' energy: -72.752
flat angles P-C4'-P energy: -54.370
tors. eta vs tors. theta energy: -91.846
Dist. restrs. and SS energy: 4.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -1075.861224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.861224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.474312 (E_RNA)
where:
Base-Base interactions energy: -744.017
where: short stacking energy: -307.741
Base-Backbone interact. energy: -1.342
local terms energy: -333.114487
where:
bonds (distance) C4'-P energy: -54.944
bonds (distance) P-C4' energy: -72.970
flat angles C4'-P-C4' energy: -68.025
flat angles P-C4'-P energy: -46.128
tors. eta vs tors. theta energy: -91.047
Dist. restrs. and SS energy: 2.613 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -1032.360665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.360665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.252286 (E_RNA)
where:
Base-Base interactions energy: -725.101
where: short stacking energy: -298.572
Base-Backbone interact. energy: -2.636
local terms energy: -307.515164
where:
bonds (distance) C4'-P energy: -50.681
bonds (distance) P-C4' energy: -57.507
flat angles C4'-P-C4' energy: -68.224
flat angles P-C4'-P energy: -52.670
tors. eta vs tors. theta energy: -78.434
Dist. restrs. and SS energy: 2.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -997.122063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.122063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.777123 (E_RNA)
where:
Base-Base interactions energy: -688.651
where: short stacking energy: -271.552
Base-Backbone interact. energy: -2.007
local terms energy: -311.119754
where:
bonds (distance) C4'-P energy: -69.822
bonds (distance) P-C4' energy: -61.361
flat angles C4'-P-C4' energy: -59.262
flat angles P-C4'-P energy: -42.579
tors. eta vs tors. theta energy: -78.096
Dist. restrs. and SS energy: 4.655 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -919.529744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.529744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.773796 (E_RNA)
where:
Base-Base interactions energy: -633.801
where: short stacking energy: -260.470
Base-Backbone interact. energy: -0.594
local terms energy: -294.378425
where:
bonds (distance) C4'-P energy: -47.837
bonds (distance) P-C4' energy: -67.456
flat angles C4'-P-C4' energy: -61.911
flat angles P-C4'-P energy: -43.516
tors. eta vs tors. theta energy: -73.658
Dist. restrs. and SS energy: 9.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -891.942312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.942312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.819628 (E_RNA)
where:
Base-Base interactions energy: -631.556
where: short stacking energy: -252.944
Base-Backbone interact. energy: 1.093
local terms energy: -268.356682
where:
bonds (distance) C4'-P energy: -65.384
bonds (distance) P-C4' energy: -50.428
flat angles C4'-P-C4' energy: -60.342
flat angles P-C4'-P energy: -34.279
tors. eta vs tors. theta energy: -57.923
Dist. restrs. and SS energy: 6.877 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -885.959098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.959098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.940687 (E_RNA)
where:
Base-Base interactions energy: -611.049
where: short stacking energy: -227.580
Base-Backbone interact. energy: -0.608
local terms energy: -284.283210
where:
bonds (distance) C4'-P energy: -59.065
bonds (distance) P-C4' energy: -51.091
flat angles C4'-P-C4' energy: -57.055
flat angles P-C4'-P energy: -45.629
tors. eta vs tors. theta energy: -71.443
Dist. restrs. and SS energy: 9.982 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -786.045040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.045040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.684284 (E_RNA)
where:
Base-Base interactions energy: -564.727
where: short stacking energy: -220.961
Base-Backbone interact. energy: -1.866
local terms energy: -236.091293
where:
bonds (distance) C4'-P energy: -48.105
bonds (distance) P-C4' energy: -53.146
flat angles C4'-P-C4' energy: -62.438
flat angles P-C4'-P energy: -31.426
tors. eta vs tors. theta energy: -40.977
Dist. restrs. and SS energy: 16.639 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -1224.729435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.729435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.655950 (E_RNA)
where:
Base-Base interactions energy: -848.224
where: short stacking energy: -346.384
Base-Backbone interact. energy: -0.282
local terms energy: -379.150313
where:
bonds (distance) C4'-P energy: -69.463
bonds (distance) P-C4' energy: -72.608
flat angles C4'-P-C4' energy: -82.331
flat angles P-C4'-P energy: -50.654
tors. eta vs tors. theta energy: -104.095
Dist. restrs. and SS energy: 2.927 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -1189.722008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.722008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.791749 (E_RNA)
where:
Base-Base interactions energy: -831.102
where: short stacking energy: -338.344
Base-Backbone interact. energy: -1.294
local terms energy: -360.396311
where:
bonds (distance) C4'-P energy: -68.828
bonds (distance) P-C4' energy: -60.135
flat angles C4'-P-C4' energy: -73.583
flat angles P-C4'-P energy: -64.114
tors. eta vs tors. theta energy: -93.735
Dist. restrs. and SS energy: 3.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -1168.886522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.886522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.214138 (E_RNA)
where:
Base-Base interactions energy: -818.657
where: short stacking energy: -343.251
Base-Backbone interact. energy: -3.959
local terms energy: -350.598397
where:
bonds (distance) C4'-P energy: -69.524
bonds (distance) P-C4' energy: -60.193
flat angles C4'-P-C4' energy: -69.999
flat angles P-C4'-P energy: -49.752
tors. eta vs tors. theta energy: -101.130
Dist. restrs. and SS energy: 4.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -1049.633737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.633737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.588483 (E_RNA)
where:
Base-Base interactions energy: -740.610
where: short stacking energy: -305.480
Base-Backbone interact. energy: -1.250
local terms energy: -311.729157
where:
bonds (distance) C4'-P energy: -54.033
bonds (distance) P-C4' energy: -64.382
flat angles C4'-P-C4' energy: -66.511
flat angles P-C4'-P energy: -50.777
tors. eta vs tors. theta energy: -76.026
Dist. restrs. and SS energy: 3.955 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -1028.718790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.718790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.049556 (E_RNA)
where:
Base-Base interactions energy: -728.436
where: short stacking energy: -287.880
Base-Backbone interact. energy: -1.076
local terms energy: -301.537511
where:
bonds (distance) C4'-P energy: -58.456
bonds (distance) P-C4' energy: -57.283
flat angles C4'-P-C4' energy: -61.883
flat angles P-C4'-P energy: -45.400
tors. eta vs tors. theta energy: -78.515
Dist. restrs. and SS energy: 2.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -972.363871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.363871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.362779 (E_RNA)
where:
Base-Base interactions energy: -658.681
where: short stacking energy: -272.608
Base-Backbone interact. energy: -0.231
local terms energy: -317.450385
where:
bonds (distance) C4'-P energy: -68.940
bonds (distance) P-C4' energy: -65.624
flat angles C4'-P-C4' energy: -68.000
flat angles P-C4'-P energy: -42.589
tors. eta vs tors. theta energy: -72.296
Dist. restrs. and SS energy: 3.999 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -937.650725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.650725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.812139 (E_RNA)
where:
Base-Base interactions energy: -666.023
where: short stacking energy: -249.337
Base-Backbone interact. energy: 0.114
local terms energy: -281.902409
where:
bonds (distance) C4'-P energy: -49.252
bonds (distance) P-C4' energy: -69.778
flat angles C4'-P-C4' energy: -59.870
flat angles P-C4'-P energy: -41.201
tors. eta vs tors. theta energy: -61.801
Dist. restrs. and SS energy: 10.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -893.477190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.477190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.224282 (E_RNA)
where:
Base-Base interactions energy: -643.016
where: short stacking energy: -247.818
Base-Backbone interact. energy: -0.303
local terms energy: -255.905214
where:
bonds (distance) C4'-P energy: -48.424
bonds (distance) P-C4' energy: -66.142
flat angles C4'-P-C4' energy: -48.771
flat angles P-C4'-P energy: -35.293
tors. eta vs tors. theta energy: -57.276
Dist. restrs. and SS energy: 5.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -883.114183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.114183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.991646 (E_RNA)
where:
Base-Base interactions energy: -621.903
where: short stacking energy: -240.191
Base-Backbone interact. energy: -2.306
local terms energy: -265.782563
where:
bonds (distance) C4'-P energy: -47.545
bonds (distance) P-C4' energy: -60.715
flat angles C4'-P-C4' energy: -66.221
flat angles P-C4'-P energy: -35.035
tors. eta vs tors. theta energy: -56.267
Dist. restrs. and SS energy: 6.877 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -797.454704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.454704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.482253 (E_RNA)
where:
Base-Base interactions energy: -552.461
where: short stacking energy: -218.656
Base-Backbone interact. energy: -1.020
local terms energy: -260.001145
where:
bonds (distance) C4'-P energy: -46.910
bonds (distance) P-C4' energy: -60.164
flat angles C4'-P-C4' energy: -57.944
flat angles P-C4'-P energy: -40.956
tors. eta vs tors. theta energy: -54.028
Dist. restrs. and SS energy: 16.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -1236.786404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.786404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.653360 (E_RNA)
where:
Base-Base interactions energy: -871.411
where: short stacking energy: -358.135
Base-Backbone interact. energy: -2.689
local terms energy: -365.553407
where:
bonds (distance) C4'-P energy: -69.868
bonds (distance) P-C4' energy: -66.947
flat angles C4'-P-C4' energy: -71.490
flat angles P-C4'-P energy: -52.278
tors. eta vs tors. theta energy: -104.971
Dist. restrs. and SS energy: 2.867 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -1179.711071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.711071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.495298 (E_RNA)
where:
Base-Base interactions energy: -817.065
where: short stacking energy: -342.118
Base-Backbone interact. energy: 1.486
local terms energy: -366.916377
where:
bonds (distance) C4'-P energy: -65.309
bonds (distance) P-C4' energy: -69.558
flat angles C4'-P-C4' energy: -78.316
flat angles P-C4'-P energy: -57.676
tors. eta vs tors. theta energy: -96.056
Dist. restrs. and SS energy: 2.784 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -1160.034312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.034312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.055755 (E_RNA)
where:
Base-Base interactions energy: -802.247
where: short stacking energy: -328.365
Base-Backbone interact. energy: -3.507
local terms energy: -357.301463
where:
bonds (distance) C4'-P energy: -67.788
bonds (distance) P-C4' energy: -74.178
flat angles C4'-P-C4' energy: -62.197
flat angles P-C4'-P energy: -54.112
tors. eta vs tors. theta energy: -99.026
Dist. restrs. and SS energy: 3.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -1077.117938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.117938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.037835 (E_RNA)
where:
Base-Base interactions energy: -754.447
where: short stacking energy: -316.035
Base-Backbone interact. energy: -1.738
local terms energy: -323.852555
where:
bonds (distance) C4'-P energy: -51.947
bonds (distance) P-C4' energy: -63.722
flat angles C4'-P-C4' energy: -78.239
flat angles P-C4'-P energy: -46.850
tors. eta vs tors. theta energy: -83.095
Dist. restrs. and SS energy: 2.920 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -1046.088529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.088529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.079085 (E_RNA)
where:
Base-Base interactions energy: -714.460
where: short stacking energy: -288.909
Base-Backbone interact. energy: -0.436
local terms energy: -335.183590
where:
bonds (distance) C4'-P energy: -69.316
bonds (distance) P-C4' energy: -61.389
flat angles C4'-P-C4' energy: -68.211
flat angles P-C4'-P energy: -52.881
tors. eta vs tors. theta energy: -83.387
Dist. restrs. and SS energy: 3.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -993.093702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.093702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.661737 (E_RNA)
where:
Base-Base interactions energy: -703.654
where: short stacking energy: -274.458
Base-Backbone interact. energy: 1.153
local terms energy: -294.161527
where:
bonds (distance) C4'-P energy: -66.287
bonds (distance) P-C4' energy: -61.736
flat angles C4'-P-C4' energy: -59.196
flat angles P-C4'-P energy: -38.589
tors. eta vs tors. theta energy: -68.354
Dist. restrs. and SS energy: 3.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -903.432120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.432120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.174749 (E_RNA)
where:
Base-Base interactions energy: -630.897
where: short stacking energy: -243.623
Base-Backbone interact. energy: -0.332
local terms energy: -281.945767
where:
bonds (distance) C4'-P energy: -56.838
bonds (distance) P-C4' energy: -56.692
flat angles C4'-P-C4' energy: -62.751
flat angles P-C4'-P energy: -44.395
tors. eta vs tors. theta energy: -61.269
Dist. restrs. and SS energy: 9.743 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -913.329097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.329097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.723466 (E_RNA)
where:
Base-Base interactions energy: -652.659
where: short stacking energy: -257.433
Base-Backbone interact. energy: -2.155
local terms energy: -271.909303
where:
bonds (distance) C4'-P energy: -55.083
bonds (distance) P-C4' energy: -44.161
flat angles C4'-P-C4' energy: -59.142
flat angles P-C4'-P energy: -48.190
tors. eta vs tors. theta energy: -65.333
Dist. restrs. and SS energy: 13.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -867.224072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.224072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.380180 (E_RNA)
where:
Base-Base interactions energy: -610.552
where: short stacking energy: -240.568
Base-Backbone interact. energy: -1.352
local terms energy: -260.475901
where:
bonds (distance) C4'-P energy: -48.439
bonds (distance) P-C4' energy: -53.626
flat angles C4'-P-C4' energy: -65.101
flat angles P-C4'-P energy: -40.504
tors. eta vs tors. theta energy: -52.806
Dist. restrs. and SS energy: 5.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -808.880882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.880882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.029179 (E_RNA)
where:
Base-Base interactions energy: -550.008
where: short stacking energy: -233.994
Base-Backbone interact. energy: 1.907
local terms energy: -275.928183
where:
bonds (distance) C4'-P energy: -55.738
bonds (distance) P-C4' energy: -56.462
flat angles C4'-P-C4' energy: -64.563
flat angles P-C4'-P energy: -41.567
tors. eta vs tors. theta energy: -57.597
Dist. restrs. and SS energy: 15.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -1233.383407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.383407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.488812 (E_RNA)
where:
Base-Base interactions energy: -859.753
where: short stacking energy: -363.439
Base-Backbone interact. energy: -3.066
local terms energy: -373.670261
where:
bonds (distance) C4'-P energy: -65.510
bonds (distance) P-C4' energy: -71.442
flat angles C4'-P-C4' energy: -81.453
flat angles P-C4'-P energy: -52.230
tors. eta vs tors. theta energy: -103.035
Dist. restrs. and SS energy: 3.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -1203.156663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.156663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.647580 (E_RNA)
where:
Base-Base interactions energy: -834.215
where: short stacking energy: -349.980
Base-Backbone interact. energy: -2.126
local terms energy: -370.306755
where:
bonds (distance) C4'-P energy: -58.733
bonds (distance) P-C4' energy: -68.807
flat angles C4'-P-C4' energy: -85.230
flat angles P-C4'-P energy: -55.089
tors. eta vs tors. theta energy: -102.448
Dist. restrs. and SS energy: 3.491 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -1156.664924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.664924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.743373 (E_RNA)
where:
Base-Base interactions energy: -809.546
where: short stacking energy: -334.402
Base-Backbone interact. energy: -1.847
local terms energy: -348.350494
where:
bonds (distance) C4'-P energy: -58.202
bonds (distance) P-C4' energy: -73.525
flat angles C4'-P-C4' energy: -69.471
flat angles P-C4'-P energy: -51.180
tors. eta vs tors. theta energy: -95.972
Dist. restrs. and SS energy: 3.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -1070.906341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.906341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.863768 (E_RNA)
where:
Base-Base interactions energy: -735.285
where: short stacking energy: -318.665
Base-Backbone interact. energy: 0.341
local terms energy: -339.920103
where:
bonds (distance) C4'-P energy: -61.690
bonds (distance) P-C4' energy: -70.963
flat angles C4'-P-C4' energy: -69.788
flat angles P-C4'-P energy: -49.541
tors. eta vs tors. theta energy: -87.937
Dist. restrs. and SS energy: 3.957 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -1062.080050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.080050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.189073 (E_RNA)
where:
Base-Base interactions energy: -733.177
where: short stacking energy: -310.989
Base-Backbone interact. energy: -3.952
local terms energy: -328.059885
where:
bonds (distance) C4'-P energy: -61.133
bonds (distance) P-C4' energy: -65.245
flat angles C4'-P-C4' energy: -69.422
flat angles P-C4'-P energy: -50.186
tors. eta vs tors. theta energy: -82.074
Dist. restrs. and SS energy: 3.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -999.574976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.574976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.762094 (E_RNA)
where:
Base-Base interactions energy: -710.509
where: short stacking energy: -274.695
Base-Backbone interact. energy: 0.731
local terms energy: -292.984152
where:
bonds (distance) C4'-P energy: -55.932
bonds (distance) P-C4' energy: -62.865
flat angles C4'-P-C4' energy: -62.729
flat angles P-C4'-P energy: -41.735
tors. eta vs tors. theta energy: -69.724
Dist. restrs. and SS energy: 3.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -921.967286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.967286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.073376 (E_RNA)
where:
Base-Base interactions energy: -636.514
where: short stacking energy: -250.318
Base-Backbone interact. energy: -0.423
local terms energy: -289.136792
where:
bonds (distance) C4'-P energy: -65.928
bonds (distance) P-C4' energy: -59.881
flat angles C4'-P-C4' energy: -62.519
flat angles P-C4'-P energy: -45.599
tors. eta vs tors. theta energy: -55.211
Dist. restrs. and SS energy: 4.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -890.536169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.536169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.289902 (E_RNA)
where:
Base-Base interactions energy: -622.990
where: short stacking energy: -258.121
Base-Backbone interact. energy: -2.562
local terms energy: -281.737678
where:
bonds (distance) C4'-P energy: -59.309
bonds (distance) P-C4' energy: -56.219
flat angles C4'-P-C4' energy: -66.533
flat angles P-C4'-P energy: -40.260
tors. eta vs tors. theta energy: -59.417
Dist. restrs. and SS energy: 16.754 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -885.261299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.261299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.000766 (E_RNA)
where:
Base-Base interactions energy: -606.419
where: short stacking energy: -232.420
Base-Backbone interact. energy: 0.443
local terms energy: -285.024478
where:
bonds (distance) C4'-P energy: -61.087
bonds (distance) P-C4' energy: -52.829
flat angles C4'-P-C4' energy: -62.697
flat angles P-C4'-P energy: -51.989
tors. eta vs tors. theta energy: -56.421
Dist. restrs. and SS energy: 5.739 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -822.445387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.445387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.389522 (E_RNA)
where:
Base-Base interactions energy: -587.934
where: short stacking energy: -240.881
Base-Backbone interact. energy: 5.292
local terms energy: -247.747658
where:
bonds (distance) C4'-P energy: -45.542
bonds (distance) P-C4' energy: -53.208
flat angles C4'-P-C4' energy: -54.716
flat angles P-C4'-P energy: -36.337
tors. eta vs tors. theta energy: -57.946
Dist. restrs. and SS energy: 7.944 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -1238.356511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.356511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.064608 (E_RNA)
where:
Base-Base interactions energy: -872.479
where: short stacking energy: -365.860
Base-Backbone interact. energy: -1.027
local terms energy: -368.557736
where:
bonds (distance) C4'-P energy: -58.930
bonds (distance) P-C4' energy: -71.272
flat angles C4'-P-C4' energy: -80.336
flat angles P-C4'-P energy: -55.812
tors. eta vs tors. theta energy: -102.208
Dist. restrs. and SS energy: 3.708 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -1184.611040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.611040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.613084 (E_RNA)
where:
Base-Base interactions energy: -825.336
where: short stacking energy: -332.540
Base-Backbone interact. energy: -2.028
local terms energy: -360.249218
where:
bonds (distance) C4'-P energy: -67.693
bonds (distance) P-C4' energy: -72.876
flat angles C4'-P-C4' energy: -70.738
flat angles P-C4'-P energy: -54.943
tors. eta vs tors. theta energy: -94.000
Dist. restrs. and SS energy: 3.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -1121.740644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.740644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.772166 (E_RNA)
where:
Base-Base interactions energy: -785.949
where: short stacking energy: -320.283
Base-Backbone interact. energy: -0.116
local terms energy: -338.707603
where:
bonds (distance) C4'-P energy: -59.436
bonds (distance) P-C4' energy: -68.983
flat angles C4'-P-C4' energy: -74.430
flat angles P-C4'-P energy: -47.277
tors. eta vs tors. theta energy: -88.581
Dist. restrs. and SS energy: 3.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -1067.042326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.042326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.163838 (E_RNA)
where:
Base-Base interactions energy: -733.959
where: short stacking energy: -287.087
Base-Backbone interact. energy: -2.019
local terms energy: -334.186099
where:
bonds (distance) C4'-P energy: -63.894
bonds (distance) P-C4' energy: -75.347
flat angles C4'-P-C4' energy: -69.204
flat angles P-C4'-P energy: -48.689
tors. eta vs tors. theta energy: -77.052
Dist. restrs. and SS energy: 3.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -985.468929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.468929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.405481 (E_RNA)
where:
Base-Base interactions energy: -698.971
where: short stacking energy: -294.074
Base-Backbone interact. energy: -0.803
local terms energy: -294.631569
where:
bonds (distance) C4'-P energy: -57.715
bonds (distance) P-C4' energy: -56.651
flat angles C4'-P-C4' energy: -63.927
flat angles P-C4'-P energy: -40.568
tors. eta vs tors. theta energy: -75.770
Dist. restrs. and SS energy: 8.937 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -981.091570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.091570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.301657 (E_RNA)
where:
Base-Base interactions energy: -681.834
where: short stacking energy: -261.287
Base-Backbone interact. energy: 0.262
local terms energy: -302.729518
where:
bonds (distance) C4'-P energy: -57.020
bonds (distance) P-C4' energy: -58.883
flat angles C4'-P-C4' energy: -67.874
flat angles P-C4'-P energy: -50.498
tors. eta vs tors. theta energy: -68.454
Dist. restrs. and SS energy: 3.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -944.282680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.282680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.388698 (E_RNA)
where:
Base-Base interactions energy: -665.380
where: short stacking energy: -253.842
Base-Backbone interact. energy: -0.088
local terms energy: -282.920524
where:
bonds (distance) C4'-P energy: -56.929
bonds (distance) P-C4' energy: -73.244
flat angles C4'-P-C4' energy: -65.242
flat angles P-C4'-P energy: -34.549
tors. eta vs tors. theta energy: -52.956
Dist. restrs. and SS energy: 4.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -890.784209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.784209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.998270 (E_RNA)
where:
Base-Base interactions energy: -624.486
where: short stacking energy: -250.499
Base-Backbone interact. energy: -2.006
local terms energy: -269.506626
where:
bonds (distance) C4'-P energy: -48.322
bonds (distance) P-C4' energy: -61.435
flat angles C4'-P-C4' energy: -66.067
flat angles P-C4'-P energy: -34.665
tors. eta vs tors. theta energy: -59.017
Dist. restrs. and SS energy: 5.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -884.098177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.098177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.264955 (E_RNA)
where:
Base-Base interactions energy: -651.523
where: short stacking energy: -255.748
Base-Backbone interact. energy: 4.463
local terms energy: -242.204839
where:
bonds (distance) C4'-P energy: -48.255
bonds (distance) P-C4' energy: -48.983
flat angles C4'-P-C4' energy: -53.540
flat angles P-C4'-P energy: -32.524
tors. eta vs tors. theta energy: -58.903
Dist. restrs. and SS energy: 5.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -836.557679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.557679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.129976 (E_RNA)
where:
Base-Base interactions energy: -599.703
where: short stacking energy: -222.795
Base-Backbone interact. energy: 0.620
local terms energy: -244.046912
where:
bonds (distance) C4'-P energy: -49.565
bonds (distance) P-C4' energy: -49.638
flat angles C4'-P-C4' energy: -52.272
flat angles P-C4'-P energy: -42.290
tors. eta vs tors. theta energy: -50.283
Dist. restrs. and SS energy: 6.572 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -1245.392929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.392929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.433198 (E_RNA)
where:
Base-Base interactions energy: -862.431
where: short stacking energy: -353.062
Base-Backbone interact. energy: -2.764
local terms energy: -383.237482
where:
bonds (distance) C4'-P energy: -72.458
bonds (distance) P-C4' energy: -70.673
flat angles C4'-P-C4' energy: -76.521
flat angles P-C4'-P energy: -59.947
tors. eta vs tors. theta energy: -103.638
Dist. restrs. and SS energy: 3.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -1188.174541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.174541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.628971 (E_RNA)
where:
Base-Base interactions energy: -838.967
where: short stacking energy: -329.987
Base-Backbone interact. energy: -1.425
local terms energy: -351.237109
where:
bonds (distance) C4'-P energy: -61.403
bonds (distance) P-C4' energy: -61.980
flat angles C4'-P-C4' energy: -72.084
flat angles P-C4'-P energy: -54.114
tors. eta vs tors. theta energy: -101.656
Dist. restrs. and SS energy: 3.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -1104.886382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.886382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.985229 (E_RNA)
where:
Base-Base interactions energy: -784.785
where: short stacking energy: -311.673
Base-Backbone interact. energy: -0.810
local terms energy: -322.390453
where:
bonds (distance) C4'-P energy: -64.453
bonds (distance) P-C4' energy: -61.893
flat angles C4'-P-C4' energy: -73.691
flat angles P-C4'-P energy: -46.478
tors. eta vs tors. theta energy: -75.876
Dist. restrs. and SS energy: 3.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -1078.658894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.658894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.654836 (E_RNA)
where:
Base-Base interactions energy: -774.305
where: short stacking energy: -297.436
Base-Backbone interact. energy: -2.327
local terms energy: -305.022640
where:
bonds (distance) C4'-P energy: -42.349
bonds (distance) P-C4' energy: -60.720
flat angles C4'-P-C4' energy: -69.992
flat angles P-C4'-P energy: -48.719
tors. eta vs tors. theta energy: -83.242
Dist. restrs. and SS energy: 2.996 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -1005.501304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.501304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.204607 (E_RNA)
where:
Base-Base interactions energy: -716.353
where: short stacking energy: -275.548
Base-Backbone interact. energy: 0.772
local terms energy: -293.623099
where:
bonds (distance) C4'-P energy: -56.483
bonds (distance) P-C4' energy: -57.488
flat angles C4'-P-C4' energy: -60.401
flat angles P-C4'-P energy: -45.329
tors. eta vs tors. theta energy: -73.921
Dist. restrs. and SS energy: 3.703 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -985.792384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.792384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.074384 (E_RNA)
where:
Base-Base interactions energy: -680.950
where: short stacking energy: -263.129
Base-Backbone interact. energy: -2.519
local terms energy: -305.605654
where:
bonds (distance) C4'-P energy: -50.335
bonds (distance) P-C4' energy: -68.838
flat angles C4'-P-C4' energy: -75.624
flat angles P-C4'-P energy: -46.246
tors. eta vs tors. theta energy: -64.563
Dist. restrs. and SS energy: 3.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -947.848487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.848487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.392622 (E_RNA)
where:
Base-Base interactions energy: -675.909
where: short stacking energy: -279.168
Base-Backbone interact. energy: -0.490
local terms energy: -284.993593
where:
bonds (distance) C4'-P energy: -54.582
bonds (distance) P-C4' energy: -46.468
flat angles C4'-P-C4' energy: -71.358
flat angles P-C4'-P energy: -43.692
tors. eta vs tors. theta energy: -68.893
Dist. restrs. and SS energy: 13.544 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -895.352664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.352664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.051585 (E_RNA)
where:
Base-Base interactions energy: -629.676
where: short stacking energy: -249.004
Base-Backbone interact. energy: -1.110
local terms energy: -269.265281
where:
bonds (distance) C4'-P energy: -58.595
bonds (distance) P-C4' energy: -52.484
flat angles C4'-P-C4' energy: -61.968
flat angles P-C4'-P energy: -38.759
tors. eta vs tors. theta energy: -57.458
Dist. restrs. and SS energy: 4.699 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -859.193956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.193956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.592103 (E_RNA)
where:
Base-Base interactions energy: -604.412
where: short stacking energy: -229.453
Base-Backbone interact. energy: -1.510
local terms energy: -260.670265
where:
bonds (distance) C4'-P energy: -54.306
bonds (distance) P-C4' energy: -60.343
flat angles C4'-P-C4' energy: -64.354
flat angles P-C4'-P energy: -34.110
tors. eta vs tors. theta energy: -47.557
Dist. restrs. and SS energy: 7.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -821.188317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.188317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.197839 (E_RNA)
where:
Base-Base interactions energy: -576.200
where: short stacking energy: -233.360
Base-Backbone interact. energy: -0.893
local terms energy: -252.105703
where:
bonds (distance) C4'-P energy: -41.982
bonds (distance) P-C4' energy: -48.689
flat angles C4'-P-C4' energy: -68.426
flat angles P-C4'-P energy: -41.392
tors. eta vs tors. theta energy: -51.616
Dist. restrs. and SS energy: 8.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -1225.444531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.444531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.694189 (E_RNA)
where:
Base-Base interactions energy: -859.091
where: short stacking energy: -348.068
Base-Backbone interact. energy: -2.413
local terms energy: -367.190454
where:
bonds (distance) C4'-P energy: -69.665
bonds (distance) P-C4' energy: -65.937
flat angles C4'-P-C4' energy: -75.803
flat angles P-C4'-P energy: -58.553
tors. eta vs tors. theta energy: -97.232
Dist. restrs. and SS energy: 3.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -1205.578356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.578356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.678999 (E_RNA)
where:
Base-Base interactions energy: -842.504
where: short stacking energy: -338.404
Base-Backbone interact. energy: -1.498
local terms energy: -364.677242
where:
bonds (distance) C4'-P energy: -65.871
bonds (distance) P-C4' energy: -67.082
flat angles C4'-P-C4' energy: -77.995
flat angles P-C4'-P energy: -55.833
tors. eta vs tors. theta energy: -97.897
Dist. restrs. and SS energy: 3.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -1132.512014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.512014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.708749 (E_RNA)
where:
Base-Base interactions energy: -781.837
where: short stacking energy: -327.450
Base-Backbone interact. energy: -1.314
local terms energy: -352.557857
where:
bonds (distance) C4'-P energy: -64.224
bonds (distance) P-C4' energy: -71.779
flat angles C4'-P-C4' energy: -70.425
flat angles P-C4'-P energy: -51.488
tors. eta vs tors. theta energy: -94.642
Dist. restrs. and SS energy: 3.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -1085.086627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.086627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.976267 (E_RNA)
where:
Base-Base interactions energy: -745.063
where: short stacking energy: -284.556
Base-Backbone interact. energy: -3.259
local terms energy: -340.654581
where:
bonds (distance) C4'-P energy: -66.487
bonds (distance) P-C4' energy: -66.687
flat angles C4'-P-C4' energy: -72.345
flat angles P-C4'-P energy: -50.197
tors. eta vs tors. theta energy: -84.939
Dist. restrs. and SS energy: 3.890 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -1005.596930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.596930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.742825 (E_RNA)
where:
Base-Base interactions energy: -684.379
where: short stacking energy: -283.550
Base-Backbone interact. energy: -2.783
local terms energy: -321.581321
where:
bonds (distance) C4'-P energy: -64.380
bonds (distance) P-C4' energy: -70.205
flat angles C4'-P-C4' energy: -70.701
flat angles P-C4'-P energy: -40.070
tors. eta vs tors. theta energy: -76.225
Dist. restrs. and SS energy: 3.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -981.592168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.592168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.722923 (E_RNA)
where:
Base-Base interactions energy: -709.675
where: short stacking energy: -301.500
Base-Backbone interact. energy: 4.205
local terms energy: -281.252924
where:
bonds (distance) C4'-P energy: -55.184
bonds (distance) P-C4' energy: -66.754
flat angles C4'-P-C4' energy: -60.327
flat angles P-C4'-P energy: -31.978
tors. eta vs tors. theta energy: -67.010
Dist. restrs. and SS energy: 5.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -914.036126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.036126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.093926 (E_RNA)
where:
Base-Base interactions energy: -632.091
where: short stacking energy: -262.040
Base-Backbone interact. energy: -0.080
local terms energy: -292.922549
where:
bonds (distance) C4'-P energy: -59.493
bonds (distance) P-C4' energy: -50.460
flat angles C4'-P-C4' energy: -68.667
flat angles P-C4'-P energy: -42.455
tors. eta vs tors. theta energy: -71.848
Dist. restrs. and SS energy: 11.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -920.509191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.509191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.330506 (E_RNA)
where:
Base-Base interactions energy: -658.645
where: short stacking energy: -261.973
Base-Backbone interact. energy: -0.236
local terms energy: -266.449603
where:
bonds (distance) C4'-P energy: -52.392
bonds (distance) P-C4' energy: -53.809
flat angles C4'-P-C4' energy: -55.041
flat angles P-C4'-P energy: -45.209
tors. eta vs tors. theta energy: -59.999
Dist. restrs. and SS energy: 4.821 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -856.495114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.495114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.568932 (E_RNA)
where:
Base-Base interactions energy: -602.338
where: short stacking energy: -240.672
Base-Backbone interact. energy: -0.878
local terms energy: -257.352711
where:
bonds (distance) C4'-P energy: -56.186
bonds (distance) P-C4' energy: -38.444
flat angles C4'-P-C4' energy: -62.152
flat angles P-C4'-P energy: -48.881
tors. eta vs tors. theta energy: -51.690
Dist. restrs. and SS energy: 4.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -825.872735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.872735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.656947 (E_RNA)
where:
Base-Base interactions energy: -586.178
where: short stacking energy: -217.905
Base-Backbone interact. energy: 0.698
local terms energy: -248.176663
where:
bonds (distance) C4'-P energy: -51.031
bonds (distance) P-C4' energy: -62.426
flat angles C4'-P-C4' energy: -59.384
flat angles P-C4'-P energy: -28.509
tors. eta vs tors. theta energy: -46.828
Dist. restrs. and SS energy: 7.784 (S_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: 443
Temperature: 0.900000
Total energy: -1227.033642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.033642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.936690 (E_RNA)
where:
Base-Base interactions energy: -862.786
where: short stacking energy: -330.090
Base-Backbone interact. energy: -3.728
local terms energy: -363.422185
where:
bonds (distance) C4'-P energy: -66.839
bonds (distance) P-C4' energy: -70.356
flat angles C4'-P-C4' energy: -79.163
flat angles P-C4'-P energy: -55.383
tors. eta vs tors. theta energy: -91.681
Dist. restrs. and SS energy: 2.903 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -1218.776190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.776190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.531716 (E_RNA)
where:
Base-Base interactions energy: -865.101
where: short stacking energy: -361.198
Base-Backbone interact. energy: -1.644
local terms energy: -354.786489
where:
bonds (distance) C4'-P energy: -61.013
bonds (distance) P-C4' energy: -55.103
flat angles C4'-P-C4' energy: -79.457
flat angles P-C4'-P energy: -57.111
tors. eta vs tors. theta energy: -102.103
Dist. restrs. and SS energy: 2.756 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -1139.233475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.233475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.147328 (E_RNA)
where:
Base-Base interactions energy: -797.682
where: short stacking energy: -324.935
Base-Backbone interact. energy: -2.060
local terms energy: -342.405677
where:
bonds (distance) C4'-P energy: -51.672
bonds (distance) P-C4' energy: -65.897
flat angles C4'-P-C4' energy: -79.110
flat angles P-C4'-P energy: -58.688
tors. eta vs tors. theta energy: -87.039
Dist. restrs. and SS energy: 2.914 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -1070.286460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.286460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.420541 (E_RNA)
where:
Base-Base interactions energy: -758.317
where: short stacking energy: -312.623
Base-Backbone interact. energy: 0.206
local terms energy: -316.310135
where:
bonds (distance) C4'-P energy: -62.843
bonds (distance) P-C4' energy: -62.490
flat angles C4'-P-C4' energy: -65.978
flat angles P-C4'-P energy: -35.423
tors. eta vs tors. theta energy: -89.576
Dist. restrs. and SS energy: 4.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -997.024321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.024321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.933233 (E_RNA)
where:
Base-Base interactions energy: -679.162
where: short stacking energy: -260.310
Base-Backbone interact. energy: 1.763
local terms energy: -325.534290
where:
bonds (distance) C4'-P energy: -62.416
bonds (distance) P-C4' energy: -67.922
flat angles C4'-P-C4' energy: -69.715
flat angles P-C4'-P energy: -57.119
tors. eta vs tors. theta energy: -68.362
Dist. restrs. and SS energy: 5.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -1000.580185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.580185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.214839 (E_RNA)
where:
Base-Base interactions energy: -701.601
where: short stacking energy: -261.195
Base-Backbone interact. energy: -1.386
local terms energy: -304.228255
where:
bonds (distance) C4'-P energy: -57.583
bonds (distance) P-C4' energy: -56.570
flat angles C4'-P-C4' energy: -75.380
flat angles P-C4'-P energy: -46.663
tors. eta vs tors. theta energy: -68.033
Dist. restrs. and SS energy: 6.635 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -910.177612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.177612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.862448 (E_RNA)
where:
Base-Base interactions energy: -645.529
where: short stacking energy: -260.339
Base-Backbone interact. energy: 2.134
local terms energy: -276.466759
where:
bonds (distance) C4'-P energy: -50.519
bonds (distance) P-C4' energy: -63.030
flat angles C4'-P-C4' energy: -61.094
flat angles P-C4'-P energy: -41.064
tors. eta vs tors. theta energy: -60.760
Dist. restrs. and SS energy: 9.685 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -944.677708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.677708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.893309 (E_RNA)
where:
Base-Base interactions energy: -663.013
where: short stacking energy: -253.742
Base-Backbone interact. energy: 1.822
local terms energy: -286.702919
where:
bonds (distance) C4'-P energy: -62.436
bonds (distance) P-C4' energy: -67.246
flat angles C4'-P-C4' energy: -63.107
flat angles P-C4'-P energy: -34.836
tors. eta vs tors. theta energy: -59.079
Dist. restrs. and SS energy: 3.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -838.728969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.728969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.157404 (E_RNA)
where:
Base-Base interactions energy: -599.849
where: short stacking energy: -245.153
Base-Backbone interact. energy: -0.286
local terms energy: -247.022247
where:
bonds (distance) C4'-P energy: -64.610
bonds (distance) P-C4' energy: -47.235
flat angles C4'-P-C4' energy: -53.202
flat angles P-C4'-P energy: -24.967
tors. eta vs tors. theta energy: -57.008
Dist. restrs. and SS energy: 8.428 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -798.980536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.980536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.364132 (E_RNA)
where:
Base-Base interactions energy: -549.913
where: short stacking energy: -227.836
Base-Backbone interact. energy: -0.043
local terms energy: -254.408501
where:
bonds (distance) C4'-P energy: -53.089
bonds (distance) P-C4' energy: -59.371
flat angles C4'-P-C4' energy: -57.513
flat angles P-C4'-P energy: -33.210
tors. eta vs tors. theta energy: -51.226
Dist. restrs. and SS energy: 5.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -1222.572883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.572883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.030872 (E_RNA)
where:
Base-Base interactions energy: -871.091
where: short stacking energy: -328.709
Base-Backbone interact. energy: -5.085
local terms energy: -349.854937
where:
bonds (distance) C4'-P energy: -72.657
bonds (distance) P-C4' energy: -67.037
flat angles C4'-P-C4' energy: -67.265
flat angles P-C4'-P energy: -50.661
tors. eta vs tors. theta energy: -92.235
Dist. restrs. and SS energy: 3.458 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -1223.345040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.345040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.196476 (E_RNA)
where:
Base-Base interactions energy: -861.659
where: short stacking energy: -355.522
Base-Backbone interact. energy: 1.626
local terms energy: -366.162879
where:
bonds (distance) C4'-P energy: -68.192
bonds (distance) P-C4' energy: -65.942
flat angles C4'-P-C4' energy: -71.232
flat angles P-C4'-P energy: -58.107
tors. eta vs tors. theta energy: -102.690
Dist. restrs. and SS energy: 2.851 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -1140.311734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.311734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.722149 (E_RNA)
where:
Base-Base interactions energy: -778.604
where: short stacking energy: -332.860
Base-Backbone interact. energy: -3.624
local terms energy: -361.494659
where:
bonds (distance) C4'-P energy: -66.699
bonds (distance) P-C4' energy: -73.387
flat angles C4'-P-C4' energy: -72.154
flat angles P-C4'-P energy: -46.388
tors. eta vs tors. theta energy: -102.866
Dist. restrs. and SS energy: 3.410 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -1039.190678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.190678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.704517 (E_RNA)
where:
Base-Base interactions energy: -714.254
where: short stacking energy: -304.950
Base-Backbone interact. energy: 1.745
local terms energy: -333.195391
where:
bonds (distance) C4'-P energy: -65.304
bonds (distance) P-C4' energy: -62.208
flat angles C4'-P-C4' energy: -74.037
flat angles P-C4'-P energy: -47.651
tors. eta vs tors. theta energy: -83.996
Dist. restrs. and SS energy: 6.514 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -1029.069891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.069891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.851121 (E_RNA)
where:
Base-Base interactions energy: -721.332
where: short stacking energy: -278.079
Base-Backbone interact. energy: -0.852
local terms energy: -313.667039
where:
bonds (distance) C4'-P energy: -67.393
bonds (distance) P-C4' energy: -65.534
flat angles C4'-P-C4' energy: -69.075
flat angles P-C4'-P energy: -40.340
tors. eta vs tors. theta energy: -71.325
Dist. restrs. and SS energy: 6.781 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -1012.941133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.941133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.244885 (E_RNA)
where:
Base-Base interactions energy: -728.854
where: short stacking energy: -292.929
Base-Backbone interact. energy: 0.949
local terms energy: -289.339262
where:
bonds (distance) C4'-P energy: -63.105
bonds (distance) P-C4' energy: -61.138
flat angles C4'-P-C4' energy: -63.472
flat angles P-C4'-P energy: -32.552
tors. eta vs tors. theta energy: -69.072
Dist. restrs. and SS energy: 4.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -961.588726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.588726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.097470 (E_RNA)
where:
Base-Base interactions energy: -683.455
where: short stacking energy: -264.602
Base-Backbone interact. energy: -0.138
local terms energy: -282.504519
where:
bonds (distance) C4'-P energy: -59.466
bonds (distance) P-C4' energy: -50.767
flat angles C4'-P-C4' energy: -68.125
flat angles P-C4'-P energy: -41.028
tors. eta vs tors. theta energy: -63.120
Dist. restrs. and SS energy: 4.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -880.725059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.725059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.149649 (E_RNA)
where:
Base-Base interactions energy: -611.512
where: short stacking energy: -249.847
Base-Backbone interact. energy: 0.325
local terms energy: -275.962674
where:
bonds (distance) C4'-P energy: -53.103
bonds (distance) P-C4' energy: -63.954
flat angles C4'-P-C4' energy: -63.887
flat angles P-C4'-P energy: -39.231
tors. eta vs tors. theta energy: -55.788
Dist. restrs. and SS energy: 6.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -839.939624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.939624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.036117 (E_RNA)
where:
Base-Base interactions energy: -583.828
where: short stacking energy: -224.667
Base-Backbone interact. energy: -0.618
local terms energy: -261.589960
where:
bonds (distance) C4'-P energy: -55.945
bonds (distance) P-C4' energy: -56.795
flat angles C4'-P-C4' energy: -62.098
flat angles P-C4'-P energy: -43.035
tors. eta vs tors. theta energy: -43.717
Dist. restrs. and SS energy: 6.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -817.347910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.347910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.157434 (E_RNA)
where:
Base-Base interactions energy: -569.143
where: short stacking energy: -213.649
Base-Backbone interact. energy: -0.277
local terms energy: -262.738138
where:
bonds (distance) C4'-P energy: -50.076
bonds (distance) P-C4' energy: -64.103
flat angles C4'-P-C4' energy: -50.211
flat angles P-C4'-P energy: -48.606
tors. eta vs tors. theta energy: -49.743
Dist. restrs. and SS energy: 14.810 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -1213.495027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.495027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.260140 (E_RNA)
where:
Base-Base interactions energy: -852.055
where: short stacking energy: -325.681
Base-Backbone interact. energy: 4.699
local terms energy: -368.903558
where:
bonds (distance) C4'-P energy: -72.984
bonds (distance) P-C4' energy: -63.286
flat angles C4'-P-C4' energy: -77.556
flat angles P-C4'-P energy: -57.663
tors. eta vs tors. theta energy: -97.415
Dist. restrs. and SS energy: 2.765 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -1197.516170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.516170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.247796 (E_RNA)
where:
Base-Base interactions energy: -836.233
where: short stacking energy: -355.586
Base-Backbone interact. energy: -1.671
local terms energy: -362.343670
where:
bonds (distance) C4'-P energy: -59.147
bonds (distance) P-C4' energy: -63.451
flat angles C4'-P-C4' energy: -84.835
flat angles P-C4'-P energy: -52.092
tors. eta vs tors. theta energy: -102.819
Dist. restrs. and SS energy: 2.732 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -1132.850764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.850764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.316118 (E_RNA)
where:
Base-Base interactions energy: -810.743
where: short stacking energy: -315.537
Base-Backbone interact. energy: -1.638
local terms energy: -324.935243
where:
bonds (distance) C4'-P energy: -51.180
bonds (distance) P-C4' energy: -65.200
flat angles C4'-P-C4' energy: -67.872
flat angles P-C4'-P energy: -50.320
tors. eta vs tors. theta energy: -90.363
Dist. restrs. and SS energy: 4.465 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -1026.907467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.907467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.788650 (E_RNA)
where:
Base-Base interactions energy: -733.176
where: short stacking energy: -293.286
Base-Backbone interact. energy: -1.568
local terms energy: -298.044118
where:
bonds (distance) C4'-P energy: -65.494
bonds (distance) P-C4' energy: -61.478
flat angles C4'-P-C4' energy: -59.558
flat angles P-C4'-P energy: -40.137
tors. eta vs tors. theta energy: -71.378
Dist. restrs. and SS energy: 5.881 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -1040.693185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.693185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.929821 (E_RNA)
where:
Base-Base interactions energy: -722.220
where: short stacking energy: -298.927
Base-Backbone interact. energy: -1.653
local terms energy: -322.056873
where:
bonds (distance) C4'-P energy: -62.866
bonds (distance) P-C4' energy: -52.917
flat angles C4'-P-C4' energy: -68.908
flat angles P-C4'-P energy: -56.839
tors. eta vs tors. theta energy: -80.527
Dist. restrs. and SS energy: 5.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -1000.768491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.768491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.063700 (E_RNA)
where:
Base-Base interactions energy: -709.205
where: short stacking energy: -291.643
Base-Backbone interact. energy: -0.970
local terms energy: -298.888451
where:
bonds (distance) C4'-P energy: -54.356
bonds (distance) P-C4' energy: -69.090
flat angles C4'-P-C4' energy: -59.540
flat angles P-C4'-P energy: -43.708
tors. eta vs tors. theta energy: -72.194
Dist. restrs. and SS energy: 8.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -988.318281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.318281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.779825 (E_RNA)
where:
Base-Base interactions energy: -676.087
where: short stacking energy: -282.613
Base-Backbone interact. energy: -0.144
local terms energy: -317.549129
where:
bonds (distance) C4'-P energy: -58.016
bonds (distance) P-C4' energy: -57.993
flat angles C4'-P-C4' energy: -62.332
flat angles P-C4'-P energy: -52.289
tors. eta vs tors. theta energy: -86.919
Dist. restrs. and SS energy: 5.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -876.137882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.137882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.221415 (E_RNA)
where:
Base-Base interactions energy: -614.094
where: short stacking energy: -247.065
Base-Backbone interact. energy: 4.202
local terms energy: -275.329879
where:
bonds (distance) C4'-P energy: -56.709
bonds (distance) P-C4' energy: -73.959
flat angles C4'-P-C4' energy: -58.074
flat angles P-C4'-P energy: -29.780
tors. eta vs tors. theta energy: -56.808
Dist. restrs. and SS energy: 9.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -839.061521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.061521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.721502 (E_RNA)
where:
Base-Base interactions energy: -590.542
where: short stacking energy: -235.036
Base-Backbone interact. energy: -0.114
local terms energy: -258.065583
where:
bonds (distance) C4'-P energy: -55.412
bonds (distance) P-C4' energy: -54.383
flat angles C4'-P-C4' energy: -65.445
flat angles P-C4'-P energy: -31.337
tors. eta vs tors. theta energy: -51.489
Dist. restrs. and SS energy: 9.660 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -840.276672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.276672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.856686 (E_RNA)
where:
Base-Base interactions energy: -598.584
where: short stacking energy: -237.503
Base-Backbone interact. energy: -0.016
local terms energy: -251.256059
where:
bonds (distance) C4'-P energy: -52.782
bonds (distance) P-C4' energy: -51.362
flat angles C4'-P-C4' energy: -61.434
flat angles P-C4'-P energy: -29.271
tors. eta vs tors. theta energy: -56.407
Dist. restrs. and SS energy: 9.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -1207.358684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.358684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.388939 (E_RNA)
where:
Base-Base interactions energy: -850.687
where: short stacking energy: -335.089
Base-Backbone interact. energy: -2.980
local terms energy: -356.722531
where:
bonds (distance) C4'-P energy: -70.368
bonds (distance) P-C4' energy: -67.736
flat angles C4'-P-C4' energy: -73.824
flat angles P-C4'-P energy: -49.172
tors. eta vs tors. theta energy: -95.623
Dist. restrs. and SS energy: 3.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -1185.924209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.924209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.009760 (E_RNA)
where:
Base-Base interactions energy: -807.676
where: short stacking energy: -346.499
Base-Backbone interact. energy: -2.479
local terms energy: -378.855198
where:
bonds (distance) C4'-P energy: -73.104
bonds (distance) P-C4' energy: -73.345
flat angles C4'-P-C4' energy: -77.435
flat angles P-C4'-P energy: -51.028
tors. eta vs tors. theta energy: -103.943
Dist. restrs. and SS energy: 3.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -1140.457517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.457517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.560913 (E_RNA)
where:
Base-Base interactions energy: -795.162
where: short stacking energy: -338.422
Base-Backbone interact. energy: -1.728
local terms energy: -346.670594
where:
bonds (distance) C4'-P energy: -66.296
bonds (distance) P-C4' energy: -52.976
flat angles C4'-P-C4' energy: -78.228
flat angles P-C4'-P energy: -54.124
tors. eta vs tors. theta energy: -95.046
Dist. restrs. and SS energy: 3.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -1035.628586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.628586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.638544 (E_RNA)
where:
Base-Base interactions energy: -722.664
where: short stacking energy: -289.951
Base-Backbone interact. energy: -2.745
local terms energy: -317.230287
where:
bonds (distance) C4'-P energy: -69.777
bonds (distance) P-C4' energy: -61.256
flat angles C4'-P-C4' energy: -65.408
flat angles P-C4'-P energy: -48.520
tors. eta vs tors. theta energy: -72.269
Dist. restrs. and SS energy: 7.010 (S_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: 446
Temperature: 1.100000
Total energy: -1042.228353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.228353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.999732 (E_RNA)
where:
Base-Base interactions energy: -738.028
where: short stacking energy: -311.022
Base-Backbone interact. energy: -0.961
local terms energy: -307.010651
where:
bonds (distance) C4'-P energy: -57.811
bonds (distance) P-C4' energy: -55.005
flat angles C4'-P-C4' energy: -68.276
flat angles P-C4'-P energy: -42.082
tors. eta vs tors. theta energy: -83.837
Dist. restrs. and SS energy: 3.771 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -997.990174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.990174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.257519 (E_RNA)
where:
Base-Base interactions energy: -700.701
where: short stacking energy: -275.018
Base-Backbone interact. energy: -1.698
local terms energy: -298.858874
where:
bonds (distance) C4'-P energy: -64.752
bonds (distance) P-C4' energy: -58.082
flat angles C4'-P-C4' energy: -63.920
flat angles P-C4'-P energy: -44.152
tors. eta vs tors. theta energy: -67.952
Dist. restrs. and SS energy: 3.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -964.644860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.644860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.006310 (E_RNA)
where:
Base-Base interactions energy: -667.053
where: short stacking energy: -257.114
Base-Backbone interact. energy: 1.210
local terms energy: -303.163399
where:
bonds (distance) C4'-P energy: -58.917
bonds (distance) P-C4' energy: -66.280
flat angles C4'-P-C4' energy: -65.230
flat angles P-C4'-P energy: -44.034
tors. eta vs tors. theta energy: -68.703
Dist. restrs. and SS energy: 4.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -893.709634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.709634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.440036 (E_RNA)
where:
Base-Base interactions energy: -635.863
where: short stacking energy: -246.944
Base-Backbone interact. energy: -4.021
local terms energy: -264.555701
where:
bonds (distance) C4'-P energy: -58.023
bonds (distance) P-C4' energy: -57.852
flat angles C4'-P-C4' energy: -45.608
flat angles P-C4'-P energy: -43.737
tors. eta vs tors. theta energy: -59.335
Dist. restrs. and SS energy: 10.730 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -838.156858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.156858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.545590 (E_RNA)
where:
Base-Base interactions energy: -586.261
where: short stacking energy: -242.401
Base-Backbone interact. energy: -0.275
local terms energy: -263.009555
where:
bonds (distance) C4'-P energy: -48.657
bonds (distance) P-C4' energy: -53.330
flat angles C4'-P-C4' energy: -60.680
flat angles P-C4'-P energy: -42.017
tors. eta vs tors. theta energy: -58.325
Dist. restrs. and SS energy: 11.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -829.746687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.746687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.451768 (E_RNA)
where:
Base-Base interactions energy: -572.486
where: short stacking energy: -223.743
Base-Backbone interact. energy: -1.407
local terms energy: -263.559018
where:
bonds (distance) C4'-P energy: -50.586
bonds (distance) P-C4' energy: -52.119
flat angles C4'-P-C4' energy: -59.497
flat angles P-C4'-P energy: -39.264
tors. eta vs tors. theta energy: -62.092
Dist. restrs. and SS energy: 7.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -1218.365149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.365149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.279912 (E_RNA)
where:
Base-Base interactions energy: -849.334
where: short stacking energy: -344.753
Base-Backbone interact. energy: -0.950
local terms energy: -370.996249
where:
bonds (distance) C4'-P energy: -72.920
bonds (distance) P-C4' energy: -71.067
flat angles C4'-P-C4' energy: -80.471
flat angles P-C4'-P energy: -52.320
tors. eta vs tors. theta energy: -94.219
Dist. restrs. and SS energy: 2.915 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -1199.157092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.157092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.532813 (E_RNA)
where:
Base-Base interactions energy: -841.400
where: short stacking energy: -345.208
Base-Backbone interact. energy: -1.355
local terms energy: -358.777981
where:
bonds (distance) C4'-P energy: -68.436
bonds (distance) P-C4' energy: -64.398
flat angles C4'-P-C4' energy: -70.517
flat angles P-C4'-P energy: -53.361
tors. eta vs tors. theta energy: -102.066
Dist. restrs. and SS energy: 2.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -1116.371887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.371887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.170043 (E_RNA)
where:
Base-Base interactions energy: -795.001
where: short stacking energy: -328.365
Base-Backbone interact. energy: -0.537
local terms energy: -323.631685
where:
bonds (distance) C4'-P energy: -60.233
bonds (distance) P-C4' energy: -44.877
flat angles C4'-P-C4' energy: -78.642
flat angles P-C4'-P energy: -44.743
tors. eta vs tors. theta energy: -95.137
Dist. restrs. and SS energy: 2.798 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -1070.046216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.046216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.911145 (E_RNA)
where:
Base-Base interactions energy: -759.086
where: short stacking energy: -304.476
Base-Backbone interact. energy: 1.861
local terms energy: -317.686483
where:
bonds (distance) C4'-P energy: -63.368
bonds (distance) P-C4' energy: -56.677
flat angles C4'-P-C4' energy: -69.508
flat angles P-C4'-P energy: -46.928
tors. eta vs tors. theta energy: -81.206
Dist. restrs. and SS energy: 4.865 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -1011.758184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.758184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.854751 (E_RNA)
where:
Base-Base interactions energy: -704.695
where: short stacking energy: -279.869
Base-Backbone interact. energy: -1.540
local terms energy: -308.619788
where:
bonds (distance) C4'-P energy: -55.400
bonds (distance) P-C4' energy: -59.144
flat angles C4'-P-C4' energy: -67.990
flat angles P-C4'-P energy: -44.136
tors. eta vs tors. theta energy: -81.949
Dist. restrs. and SS energy: 3.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -1002.284997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.284997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.607497 (E_RNA)
where:
Base-Base interactions energy: -717.196
where: short stacking energy: -282.189
Base-Backbone interact. energy: 0.833
local terms energy: -289.245036
where:
bonds (distance) C4'-P energy: -50.367
bonds (distance) P-C4' energy: -54.481
flat angles C4'-P-C4' energy: -62.354
flat angles P-C4'-P energy: -45.629
tors. eta vs tors. theta energy: -76.415
Dist. restrs. and SS energy: 3.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -952.287222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.287222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.673333 (E_RNA)
where:
Base-Base interactions energy: -661.211
where: short stacking energy: -260.694
Base-Backbone interact. energy: -2.153
local terms energy: -293.310110
where:
bonds (distance) C4'-P energy: -54.569
bonds (distance) P-C4' energy: -60.836
flat angles C4'-P-C4' energy: -70.732
flat angles P-C4'-P energy: -45.175
tors. eta vs tors. theta energy: -61.998
Dist. restrs. and SS energy: 4.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -896.229377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.229377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.255087 (E_RNA)
where:
Base-Base interactions energy: -653.134
where: short stacking energy: -245.235
Base-Backbone interact. energy: -0.390
local terms energy: -247.731814
where:
bonds (distance) C4'-P energy: -54.310
bonds (distance) P-C4' energy: -47.223
flat angles C4'-P-C4' energy: -52.035
flat angles P-C4'-P energy: -37.840
tors. eta vs tors. theta energy: -56.324
Dist. restrs. and SS energy: 5.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -851.752537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.752537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.813510 (E_RNA)
where:
Base-Base interactions energy: -587.358
where: short stacking energy: -238.291
Base-Backbone interact. energy: -0.909
local terms energy: -270.546420
where:
bonds (distance) C4'-P energy: -48.291
bonds (distance) P-C4' energy: -65.250
flat angles C4'-P-C4' energy: -56.669
flat angles P-C4'-P energy: -39.367
tors. eta vs tors. theta energy: -60.969
Dist. restrs. and SS energy: 7.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -840.150702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.150702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.591974 (E_RNA)
where:
Base-Base interactions energy: -596.642
where: short stacking energy: -230.812
Base-Backbone interact. energy: -1.305
local terms energy: -250.644829
where:
bonds (distance) C4'-P energy: -53.685
bonds (distance) P-C4' energy: -54.795
flat angles C4'-P-C4' energy: -51.991
flat angles P-C4'-P energy: -37.056
tors. eta vs tors. theta energy: -53.118
Dist. restrs. and SS energy: 8.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -1229.629839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.629839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.058594 (E_RNA)
where:
Base-Base interactions energy: -851.616
where: short stacking energy: -331.024
Base-Backbone interact. energy: -1.721
local terms energy: -379.721909
where:
bonds (distance) C4'-P energy: -64.682
bonds (distance) P-C4' energy: -77.126
flat angles C4'-P-C4' energy: -76.825
flat angles P-C4'-P energy: -62.580
tors. eta vs tors. theta energy: -98.510
Dist. restrs. and SS energy: 3.429 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -1198.403823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.403823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.102752 (E_RNA)
where:
Base-Base interactions energy: -834.739
where: short stacking energy: -346.730
Base-Backbone interact. energy: -0.879
local terms energy: -365.485300
where:
bonds (distance) C4'-P energy: -69.990
bonds (distance) P-C4' energy: -74.012
flat angles C4'-P-C4' energy: -74.758
flat angles P-C4'-P energy: -48.666
tors. eta vs tors. theta energy: -98.059
Dist. restrs. and SS energy: 2.699 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -1134.333023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.333023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.598819 (E_RNA)
where:
Base-Base interactions energy: -780.212
where: short stacking energy: -330.856
Base-Backbone interact. energy: 0.317
local terms energy: -357.703454
where:
bonds (distance) C4'-P energy: -67.805
bonds (distance) P-C4' energy: -68.583
flat angles C4'-P-C4' energy: -77.188
flat angles P-C4'-P energy: -54.787
tors. eta vs tors. theta energy: -89.340
Dist. restrs. and SS energy: 3.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -1095.151304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.151304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.856258 (E_RNA)
where:
Base-Base interactions energy: -770.721
where: short stacking energy: -321.126
Base-Backbone interact. energy: -1.757
local terms energy: -327.378625
where:
bonds (distance) C4'-P energy: -57.949
bonds (distance) P-C4' energy: -63.225
flat angles C4'-P-C4' energy: -67.920
flat angles P-C4'-P energy: -45.262
tors. eta vs tors. theta energy: -93.022
Dist. restrs. and SS energy: 4.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -1005.019685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.019685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.490762 (E_RNA)
where:
Base-Base interactions energy: -685.672
where: short stacking energy: -282.147
Base-Backbone interact. energy: 0.681
local terms energy: -326.499965
where:
bonds (distance) C4'-P energy: -66.044
bonds (distance) P-C4' energy: -71.800
flat angles C4'-P-C4' energy: -63.681
flat angles P-C4'-P energy: -47.190
tors. eta vs tors. theta energy: -77.785
Dist. restrs. and SS energy: 6.471 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -969.644827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.644827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.120064 (E_RNA)
where:
Base-Base interactions energy: -684.718
where: short stacking energy: -263.266
Base-Backbone interact. energy: -2.759
local terms energy: -285.642666
where:
bonds (distance) C4'-P energy: -59.707
bonds (distance) P-C4' energy: -60.716
flat angles C4'-P-C4' energy: -59.868
flat angles P-C4'-P energy: -37.319
tors. eta vs tors. theta energy: -68.031
Dist. restrs. and SS energy: 3.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -986.988903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.988903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.843999 (E_RNA)
where:
Base-Base interactions energy: -701.883
where: short stacking energy: -284.812
Base-Backbone interact. energy: -0.764
local terms energy: -288.197226
where:
bonds (distance) C4'-P energy: -51.160
bonds (distance) P-C4' energy: -51.483
flat angles C4'-P-C4' energy: -72.094
flat angles P-C4'-P energy: -34.201
tors. eta vs tors. theta energy: -79.259
Dist. restrs. and SS energy: 3.855 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -923.571052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.571052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.323175 (E_RNA)
where:
Base-Base interactions energy: -646.307
where: short stacking energy: -242.768
Base-Backbone interact. energy: -1.684
local terms energy: -282.331610
where:
bonds (distance) C4'-P energy: -59.350
bonds (distance) P-C4' energy: -64.464
flat angles C4'-P-C4' energy: -60.907
flat angles P-C4'-P energy: -35.991
tors. eta vs tors. theta energy: -61.620
Dist. restrs. and SS energy: 6.752 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -839.609186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.609186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.722396 (E_RNA)
where:
Base-Base interactions energy: -604.582
where: short stacking energy: -247.854
Base-Backbone interact. energy: 3.740
local terms energy: -247.880502
where:
bonds (distance) C4'-P energy: -48.336
bonds (distance) P-C4' energy: -54.834
flat angles C4'-P-C4' energy: -59.365
flat angles P-C4'-P energy: -29.736
tors. eta vs tors. theta energy: -55.610
Dist. restrs. and SS energy: 9.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -830.576835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.576835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.409176 (E_RNA)
where:
Base-Base interactions energy: -597.338
where: short stacking energy: -230.118
Base-Backbone interact. energy: 1.900
local terms energy: -240.970349
where:
bonds (distance) C4'-P energy: -53.635
bonds (distance) P-C4' energy: -54.196
flat angles C4'-P-C4' energy: -47.225
flat angles P-C4'-P energy: -27.164
tors. eta vs tors. theta energy: -58.751
Dist. restrs. and SS energy: 5.832 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -1221.214467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.214467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.331115 (E_RNA)
where:
Base-Base interactions energy: -847.571
where: short stacking energy: -344.668
Base-Backbone interact. energy: -0.503
local terms energy: -376.257712
where:
bonds (distance) C4'-P energy: -67.989
bonds (distance) P-C4' energy: -77.368
flat angles C4'-P-C4' energy: -79.789
flat angles P-C4'-P energy: -53.028
tors. eta vs tors. theta energy: -98.084
Dist. restrs. and SS energy: 3.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -1189.620668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.620668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.093893 (E_RNA)
where:
Base-Base interactions energy: -825.461
where: short stacking energy: -332.468
Base-Backbone interact. energy: -3.444
local terms energy: -364.188843
where:
bonds (distance) C4'-P energy: -68.640
bonds (distance) P-C4' energy: -63.409
flat angles C4'-P-C4' energy: -84.543
flat angles P-C4'-P energy: -50.199
tors. eta vs tors. theta energy: -97.397
Dist. restrs. and SS energy: 3.473 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -1131.045911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.045911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.921952 (E_RNA)
where:
Base-Base interactions energy: -799.333
where: short stacking energy: -320.377
Base-Backbone interact. energy: -1.197
local terms energy: -334.391754
where:
bonds (distance) C4'-P energy: -61.069
bonds (distance) P-C4' energy: -55.600
flat angles C4'-P-C4' energy: -71.155
flat angles P-C4'-P energy: -44.839
tors. eta vs tors. theta energy: -101.728
Dist. restrs. and SS energy: 3.876 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -1107.963970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.963970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.200934 (E_RNA)
where:
Base-Base interactions energy: -773.487
where: short stacking energy: -311.051
Base-Backbone interact. energy: -1.279
local terms energy: -336.435560
where:
bonds (distance) C4'-P energy: -59.771
bonds (distance) P-C4' energy: -66.853
flat angles C4'-P-C4' energy: -77.627
flat angles P-C4'-P energy: -47.947
tors. eta vs tors. theta energy: -84.237
Dist. restrs. and SS energy: 3.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -1003.423252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.423252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.459473 (E_RNA)
where:
Base-Base interactions energy: -696.780
where: short stacking energy: -270.388
Base-Backbone interact. energy: -0.521
local terms energy: -311.159032
where:
bonds (distance) C4'-P energy: -61.076
bonds (distance) P-C4' energy: -56.063
flat angles C4'-P-C4' energy: -70.891
flat angles P-C4'-P energy: -49.031
tors. eta vs tors. theta energy: -74.097
Dist. restrs. and SS energy: 5.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -982.148273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.148273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.937794 (E_RNA)
where:
Base-Base interactions energy: -701.607
where: short stacking energy: -283.642
Base-Backbone interact. energy: -0.276
local terms energy: -283.054521
where:
bonds (distance) C4'-P energy: -58.638
bonds (distance) P-C4' energy: -56.917
flat angles C4'-P-C4' energy: -64.913
flat angles P-C4'-P energy: -32.071
tors. eta vs tors. theta energy: -70.516
Dist. restrs. and SS energy: 2.790 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -956.871670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.871670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.292257 (E_RNA)
where:
Base-Base interactions energy: -663.748
where: short stacking energy: -235.417
Base-Backbone interact. energy: 0.975
local terms energy: -302.519460
where:
bonds (distance) C4'-P energy: -67.688
bonds (distance) P-C4' energy: -63.483
flat angles C4'-P-C4' energy: -73.391
flat angles P-C4'-P energy: -38.157
tors. eta vs tors. theta energy: -59.801
Dist. restrs. and SS energy: 8.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -883.250972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.250972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.102199 (E_RNA)
where:
Base-Base interactions energy: -617.609
where: short stacking energy: -238.093
Base-Backbone interact. energy: -0.125
local terms energy: -272.368635
where:
bonds (distance) C4'-P energy: -60.650
bonds (distance) P-C4' energy: -56.311
flat angles C4'-P-C4' energy: -57.749
flat angles P-C4'-P energy: -41.257
tors. eta vs tors. theta energy: -56.402
Dist. restrs. and SS energy: 6.851 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -862.746768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.746768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.023715 (E_RNA)
where:
Base-Base interactions energy: -622.108
where: short stacking energy: -234.351
Base-Backbone interact. energy: -2.676
local terms energy: -245.239512
where:
bonds (distance) C4'-P energy: -51.305
bonds (distance) P-C4' energy: -51.994
flat angles C4'-P-C4' energy: -56.568
flat angles P-C4'-P energy: -35.055
tors. eta vs tors. theta energy: -50.317
Dist. restrs. and SS energy: 7.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -815.337557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.337557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.162628 (E_RNA)
where:
Base-Base interactions energy: -570.337
where: short stacking energy: -223.194
Base-Backbone interact. energy: 0.146
local terms energy: -254.971189
where:
bonds (distance) C4'-P energy: -55.516
bonds (distance) P-C4' energy: -41.018
flat angles C4'-P-C4' energy: -61.739
flat angles P-C4'-P energy: -35.974
tors. eta vs tors. theta energy: -60.724
Dist. restrs. and SS energy: 9.825 (S_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: 450
Temperature: 0.900000
Total energy: -1232.339837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.339837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.105900 (E_RNA)
where:
Base-Base interactions energy: -862.987
where: short stacking energy: -357.005
Base-Backbone interact. energy: -2.747
local terms energy: -369.371166
where:
bonds (distance) C4'-P energy: -65.920
bonds (distance) P-C4' energy: -63.214
flat angles C4'-P-C4' energy: -80.900
flat angles P-C4'-P energy: -58.801
tors. eta vs tors. theta energy: -100.537
Dist. restrs. and SS energy: 2.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -1190.141390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.141390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.308474 (E_RNA)
where:
Base-Base interactions energy: -828.116
where: short stacking energy: -341.349
Base-Backbone interact. energy: 0.198
local terms energy: -365.390546
where:
bonds (distance) C4'-P energy: -60.989
bonds (distance) P-C4' energy: -71.718
flat angles C4'-P-C4' energy: -78.346
flat angles P-C4'-P energy: -54.914
tors. eta vs tors. theta energy: -99.423
Dist. restrs. and SS energy: 3.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -1163.826512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.826512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.046365 (E_RNA)
where:
Base-Base interactions energy: -822.807
where: short stacking energy: -328.655
Base-Backbone interact. energy: 2.866
local terms energy: -347.105477
where:
bonds (distance) C4'-P energy: -74.847
bonds (distance) P-C4' energy: -61.916
flat angles C4'-P-C4' energy: -70.741
flat angles P-C4'-P energy: -44.487
tors. eta vs tors. theta energy: -95.114
Dist. restrs. and SS energy: 3.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -1116.326276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.326276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.850369 (E_RNA)
where:
Base-Base interactions energy: -772.812
where: short stacking energy: -315.753
Base-Backbone interact. energy: 0.222
local terms energy: -347.260003
where:
bonds (distance) C4'-P energy: -65.680
bonds (distance) P-C4' energy: -67.660
flat angles C4'-P-C4' energy: -73.244
flat angles P-C4'-P energy: -44.278
tors. eta vs tors. theta energy: -96.398
Dist. restrs. and SS energy: 3.524 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -1024.704510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.704510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.222545 (E_RNA)
where:
Base-Base interactions energy: -719.404
where: short stacking energy: -301.745
Base-Backbone interact. energy: 6.051
local terms energy: -315.870275
where:
bonds (distance) C4'-P energy: -60.354
bonds (distance) P-C4' energy: -59.939
flat angles C4'-P-C4' energy: -65.493
flat angles P-C4'-P energy: -52.336
tors. eta vs tors. theta energy: -77.748
Dist. restrs. and SS energy: 4.518 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -1004.595416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.595416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.296996 (E_RNA)
where:
Base-Base interactions energy: -703.758
where: short stacking energy: -297.953
Base-Backbone interact. energy: -1.941
local terms energy: -304.598079
where:
bonds (distance) C4'-P energy: -58.470
bonds (distance) P-C4' energy: -49.543
flat angles C4'-P-C4' energy: -68.632
flat angles P-C4'-P energy: -45.219
tors. eta vs tors. theta energy: -82.734
Dist. restrs. and SS energy: 5.702 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -890.760194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.760194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.633680 (E_RNA)
where:
Base-Base interactions energy: -596.189
where: short stacking energy: -241.859
Base-Backbone interact. energy: 1.740
local terms energy: -304.184724
where:
bonds (distance) C4'-P energy: -69.153
bonds (distance) P-C4' energy: -62.854
flat angles C4'-P-C4' energy: -65.260
flat angles P-C4'-P energy: -45.723
tors. eta vs tors. theta energy: -61.194
Dist. restrs. and SS energy: 7.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -907.232982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.232982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.959225 (E_RNA)
where:
Base-Base interactions energy: -634.488
where: short stacking energy: -245.041
Base-Backbone interact. energy: -1.841
local terms energy: -277.630593
where:
bonds (distance) C4'-P energy: -56.651
bonds (distance) P-C4' energy: -56.759
flat angles C4'-P-C4' energy: -61.711
flat angles P-C4'-P energy: -41.252
tors. eta vs tors. theta energy: -61.259
Dist. restrs. and SS energy: 6.726 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -859.563850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.563850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.799314 (E_RNA)
where:
Base-Base interactions energy: -599.172
where: short stacking energy: -243.174
Base-Backbone interact. energy: -1.212
local terms energy: -266.415343
where:
bonds (distance) C4'-P energy: -53.294
bonds (distance) P-C4' energy: -52.445
flat angles C4'-P-C4' energy: -59.782
flat angles P-C4'-P energy: -30.382
tors. eta vs tors. theta energy: -70.513
Dist. restrs. and SS energy: 7.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -802.656374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.656374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.046694 (E_RNA)
where:
Base-Base interactions energy: -557.952
where: short stacking energy: -213.464
Base-Backbone interact. energy: -1.013
local terms energy: -252.082332
where:
bonds (distance) C4'-P energy: -52.256
bonds (distance) P-C4' energy: -55.869
flat angles C4'-P-C4' energy: -56.795
flat angles P-C4'-P energy: -45.764
tors. eta vs tors. theta energy: -41.398
Dist. restrs. and SS energy: 8.390 (S_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: 451
Temperature: 0.900000
Total energy: -1216.044290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.044290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.064632 (E_RNA)
where:
Base-Base interactions energy: -851.317
where: short stacking energy: -343.824
Base-Backbone interact. energy: -3.381
local terms energy: -364.366712
where:
bonds (distance) C4'-P energy: -65.986
bonds (distance) P-C4' energy: -76.860
flat angles C4'-P-C4' energy: -74.302
flat angles P-C4'-P energy: -52.316
tors. eta vs tors. theta energy: -94.902
Dist. restrs. and SS energy: 3.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -1181.490285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.490285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.344066 (E_RNA)
where:
Base-Base interactions energy: -815.402
where: short stacking energy: -345.576
Base-Backbone interact. energy: -1.735
local terms energy: -368.206815
where:
bonds (distance) C4'-P energy: -64.240
bonds (distance) P-C4' energy: -71.904
flat angles C4'-P-C4' energy: -76.653
flat angles P-C4'-P energy: -52.730
tors. eta vs tors. theta energy: -102.680
Dist. restrs. and SS energy: 3.854 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -1179.947328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.947328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.834736 (E_RNA)
where:
Base-Base interactions energy: -834.490
where: short stacking energy: -363.071
Base-Backbone interact. energy: 1.735
local terms energy: -350.079038
where:
bonds (distance) C4'-P energy: -60.583
bonds (distance) P-C4' energy: -53.009
flat angles C4'-P-C4' energy: -83.230
flat angles P-C4'-P energy: -48.607
tors. eta vs tors. theta energy: -104.650
Dist. restrs. and SS energy: 2.887 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -1073.936102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.936102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.679198 (E_RNA)
where:
Base-Base interactions energy: -776.417
where: short stacking energy: -291.930
Base-Backbone interact. energy: -2.783
local terms energy: -297.479039
where:
bonds (distance) C4'-P energy: -49.561
bonds (distance) P-C4' energy: -58.955
flat angles C4'-P-C4' energy: -69.824
flat angles P-C4'-P energy: -41.746
tors. eta vs tors. theta energy: -77.393
Dist. restrs. and SS energy: 2.743 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -1012.797135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.797135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.754584 (E_RNA)
where:
Base-Base interactions energy: -706.566
where: short stacking energy: -284.456
Base-Backbone interact. energy: -1.480
local terms energy: -312.709019
where:
bonds (distance) C4'-P energy: -53.372
bonds (distance) P-C4' energy: -60.194
flat angles C4'-P-C4' energy: -69.518
flat angles P-C4'-P energy: -50.829
tors. eta vs tors. theta energy: -78.797
Dist. restrs. and SS energy: 7.957 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -1036.722786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.722786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.759376 (E_RNA)
where:
Base-Base interactions energy: -741.037
where: short stacking energy: -295.465
Base-Backbone interact. energy: -1.152
local terms energy: -297.570430
where:
bonds (distance) C4'-P energy: -52.080
bonds (distance) P-C4' energy: -54.008
flat angles C4'-P-C4' energy: -68.201
flat angles P-C4'-P energy: -48.811
tors. eta vs tors. theta energy: -74.471
Dist. restrs. and SS energy: 3.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -942.986241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.986241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.014516 (E_RNA)
where:
Base-Base interactions energy: -671.685
where: short stacking energy: -274.742
Base-Backbone interact. energy: -0.272
local terms energy: -276.057123
where:
bonds (distance) C4'-P energy: -52.498
bonds (distance) P-C4' energy: -54.152
flat angles C4'-P-C4' energy: -65.581
flat angles P-C4'-P energy: -35.358
tors. eta vs tors. theta energy: -68.469
Dist. restrs. and SS energy: 5.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -903.559257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.559257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.693913 (E_RNA)
where:
Base-Base interactions energy: -630.038
where: short stacking energy: -263.386
Base-Backbone interact. energy: 0.181
local terms energy: -279.836401
where:
bonds (distance) C4'-P energy: -59.788
bonds (distance) P-C4' energy: -57.458
flat angles C4'-P-C4' energy: -56.134
flat angles P-C4'-P energy: -32.210
tors. eta vs tors. theta energy: -74.246
Dist. restrs. and SS energy: 6.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -849.600125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.600125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.133043 (E_RNA)
where:
Base-Base interactions energy: -586.942
where: short stacking energy: -220.240
Base-Backbone interact. energy: -0.960
local terms energy: -268.231857
where:
bonds (distance) C4'-P energy: -58.607
bonds (distance) P-C4' energy: -70.827
flat angles C4'-P-C4' energy: -57.261
flat angles P-C4'-P energy: -28.460
tors. eta vs tors. theta energy: -53.077
Dist. restrs. and SS energy: 6.533 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -789.978915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.978915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.683962 (E_RNA)
where:
Base-Base interactions energy: -557.641
where: short stacking energy: -215.852
Base-Backbone interact. energy: -1.951
local terms energy: -239.091221
where:
bonds (distance) C4'-P energy: -45.111
bonds (distance) P-C4' energy: -54.029
flat angles C4'-P-C4' energy: -57.785
flat angles P-C4'-P energy: -36.575
tors. eta vs tors. theta energy: -45.591
Dist. restrs. and SS energy: 8.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -1225.463589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.463589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.001685 (E_RNA)
where:
Base-Base interactions energy: -854.474
where: short stacking energy: -360.484
Base-Backbone interact. energy: -0.382
local terms energy: -374.145851
where:
bonds (distance) C4'-P energy: -66.976
bonds (distance) P-C4' energy: -71.912
flat angles C4'-P-C4' energy: -74.814
flat angles P-C4'-P energy: -54.530
tors. eta vs tors. theta energy: -105.914
Dist. restrs. and SS energy: 3.538 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -1190.064441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.064441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.349011 (E_RNA)
where:
Base-Base interactions energy: -831.795
where: short stacking energy: -351.185
Base-Backbone interact. energy: -1.662
local terms energy: -359.891087
where:
bonds (distance) C4'-P energy: -65.813
bonds (distance) P-C4' energy: -64.181
flat angles C4'-P-C4' energy: -76.442
flat angles P-C4'-P energy: -52.107
tors. eta vs tors. theta energy: -101.348
Dist. restrs. and SS energy: 3.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -1154.076710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.076710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.868883 (E_RNA)
where:
Base-Base interactions energy: -807.951
where: short stacking energy: -329.045
Base-Backbone interact. energy: -2.568
local terms energy: -347.349392
where:
bonds (distance) C4'-P energy: -58.484
bonds (distance) P-C4' energy: -67.061
flat angles C4'-P-C4' energy: -72.977
flat angles P-C4'-P energy: -51.455
tors. eta vs tors. theta energy: -97.372
Dist. restrs. and SS energy: 3.792 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -1056.122217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.122217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.032098 (E_RNA)
where:
Base-Base interactions energy: -733.609
where: short stacking energy: -324.156
Base-Backbone interact. energy: -0.392
local terms energy: -327.031410
where:
bonds (distance) C4'-P energy: -61.762
bonds (distance) P-C4' energy: -56.775
flat angles C4'-P-C4' energy: -73.462
flat angles P-C4'-P energy: -41.127
tors. eta vs tors. theta energy: -93.905
Dist. restrs. and SS energy: 4.910 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -1023.923457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.923457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.566975 (E_RNA)
where:
Base-Base interactions energy: -721.139
where: short stacking energy: -294.824
Base-Backbone interact. energy: 0.375
local terms energy: -306.802343
where:
bonds (distance) C4'-P energy: -52.809
bonds (distance) P-C4' energy: -64.461
flat angles C4'-P-C4' energy: -70.429
flat angles P-C4'-P energy: -47.992
tors. eta vs tors. theta energy: -71.111
Dist. restrs. and SS energy: 3.644 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -995.627305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.627305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.182158 (E_RNA)
where:
Base-Base interactions energy: -711.052
where: short stacking energy: -272.532
Base-Backbone interact. energy: -1.543
local terms energy: -286.586728
where:
bonds (distance) C4'-P energy: -53.986
bonds (distance) P-C4' energy: -58.649
flat angles C4'-P-C4' energy: -67.155
flat angles P-C4'-P energy: -44.570
tors. eta vs tors. theta energy: -62.226
Dist. restrs. and SS energy: 3.555 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -963.901094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.901094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.283692 (E_RNA)
where:
Base-Base interactions energy: -650.997
where: short stacking energy: -264.881
Base-Backbone interact. energy: -0.297
local terms energy: -315.989254
where:
bonds (distance) C4'-P energy: -45.843
bonds (distance) P-C4' energy: -80.803
flat angles C4'-P-C4' energy: -69.994
flat angles P-C4'-P energy: -48.815
tors. eta vs tors. theta energy: -70.534
Dist. restrs. and SS energy: 3.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -890.721533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.721533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.244598 (E_RNA)
where:
Base-Base interactions energy: -617.718
where: short stacking energy: -245.463
Base-Backbone interact. energy: 0.854
local terms energy: -282.380422
where:
bonds (distance) C4'-P energy: -42.296
bonds (distance) P-C4' energy: -59.421
flat angles C4'-P-C4' energy: -66.735
flat angles P-C4'-P energy: -52.521
tors. eta vs tors. theta energy: -61.408
Dist. restrs. and SS energy: 8.523 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -811.198642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.198642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.559077 (E_RNA)
where:
Base-Base interactions energy: -570.760
where: short stacking energy: -209.312
Base-Backbone interact. energy: -2.143
local terms energy: -247.655821
where:
bonds (distance) C4'-P energy: -53.205
bonds (distance) P-C4' energy: -47.608
flat angles C4'-P-C4' energy: -61.684
flat angles P-C4'-P energy: -30.126
tors. eta vs tors. theta energy: -55.032
Dist. restrs. and SS energy: 9.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -844.310616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.310616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.340974 (E_RNA)
where:
Base-Base interactions energy: -595.087
where: short stacking energy: -227.712
Base-Backbone interact. energy: -1.388
local terms energy: -251.866177
where:
bonds (distance) C4'-P energy: -58.062
bonds (distance) P-C4' energy: -60.677
flat angles C4'-P-C4' energy: -45.605
flat angles P-C4'-P energy: -38.339
tors. eta vs tors. theta energy: -49.182
Dist. restrs. and SS energy: 4.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -1216.245404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.245404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.961824 (E_RNA)
where:
Base-Base interactions energy: -842.857
where: short stacking energy: -343.911
Base-Backbone interact. energy: -2.379
local terms energy: -373.726363
where:
bonds (distance) C4'-P energy: -60.332
bonds (distance) P-C4' energy: -73.827
flat angles C4'-P-C4' energy: -76.939
flat angles P-C4'-P energy: -59.848
tors. eta vs tors. theta energy: -102.779
Dist. restrs. and SS energy: 2.716 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -1196.947114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.947114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.110656 (E_RNA)
where:
Base-Base interactions energy: -844.050
where: short stacking energy: -322.206
Base-Backbone interact. energy: -2.359
local terms energy: -353.701917
where:
bonds (distance) C4'-P energy: -65.581
bonds (distance) P-C4' energy: -69.181
flat angles C4'-P-C4' energy: -72.216
flat angles P-C4'-P energy: -54.883
tors. eta vs tors. theta energy: -91.840
Dist. restrs. and SS energy: 3.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -1145.502918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.502918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.553931 (E_RNA)
where:
Base-Base interactions energy: -798.465
where: short stacking energy: -319.109
Base-Backbone interact. energy: -2.770
local terms energy: -347.318516
where:
bonds (distance) C4'-P energy: -57.714
bonds (distance) P-C4' energy: -70.635
flat angles C4'-P-C4' energy: -73.156
flat angles P-C4'-P energy: -50.074
tors. eta vs tors. theta energy: -95.740
Dist. restrs. and SS energy: 3.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -1081.529650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.529650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.454623 (E_RNA)
where:
Base-Base interactions energy: -751.671
where: short stacking energy: -319.136
Base-Backbone interact. energy: -1.845
local terms energy: -331.938947
where:
bonds (distance) C4'-P energy: -70.191
bonds (distance) P-C4' energy: -61.191
flat angles C4'-P-C4' energy: -70.368
flat angles P-C4'-P energy: -48.038
tors. eta vs tors. theta energy: -82.151
Dist. restrs. and SS energy: 3.925 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -1040.600282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.600282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.351466 (E_RNA)
where:
Base-Base interactions energy: -756.093
where: short stacking energy: -301.787
Base-Backbone interact. energy: 0.913
local terms energy: -289.171603
where:
bonds (distance) C4'-P energy: -58.142
bonds (distance) P-C4' energy: -50.746
flat angles C4'-P-C4' energy: -62.130
flat angles P-C4'-P energy: -41.314
tors. eta vs tors. theta energy: -76.840
Dist. restrs. and SS energy: 3.751 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -1023.552307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.552307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.442997 (E_RNA)
where:
Base-Base interactions energy: -693.279
where: short stacking energy: -284.476
Base-Backbone interact. energy: -1.893
local terms energy: -334.271295
where:
bonds (distance) C4'-P energy: -65.795
bonds (distance) P-C4' energy: -74.052
flat angles C4'-P-C4' energy: -67.445
flat angles P-C4'-P energy: -42.262
tors. eta vs tors. theta energy: -84.717
Dist. restrs. and SS energy: 5.891 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -922.650870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.650870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.972314 (E_RNA)
where:
Base-Base interactions energy: -635.498
where: short stacking energy: -254.019
Base-Backbone interact. energy: -1.350
local terms energy: -289.124686
where:
bonds (distance) C4'-P energy: -59.731
bonds (distance) P-C4' energy: -58.020
flat angles C4'-P-C4' energy: -63.320
flat angles P-C4'-P energy: -42.396
tors. eta vs tors. theta energy: -65.658
Dist. restrs. and SS energy: 3.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -929.259164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.259164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.945801 (E_RNA)
where:
Base-Base interactions energy: -655.296
where: short stacking energy: -270.161
Base-Backbone interact. energy: -0.818
local terms energy: -283.831548
where:
bonds (distance) C4'-P energy: -45.387
bonds (distance) P-C4' energy: -62.947
flat angles C4'-P-C4' energy: -66.414
flat angles P-C4'-P energy: -38.228
tors. eta vs tors. theta energy: -70.854
Dist. restrs. and SS energy: 10.687 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -849.217084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.217084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.588453 (E_RNA)
where:
Base-Base interactions energy: -599.837
where: short stacking energy: -235.217
Base-Backbone interact. energy: 1.847
local terms energy: -264.598571
where:
bonds (distance) C4'-P energy: -59.675
bonds (distance) P-C4' energy: -45.051
flat angles C4'-P-C4' energy: -57.586
flat angles P-C4'-P energy: -42.272
tors. eta vs tors. theta energy: -60.014
Dist. restrs. and SS energy: 13.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -855.399191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.399191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.406597 (E_RNA)
where:
Base-Base interactions energy: -613.857
where: short stacking energy: -231.719
Base-Backbone interact. energy: -0.395
local terms energy: -249.153756
where:
bonds (distance) C4'-P energy: -49.305
bonds (distance) P-C4' energy: -57.765
flat angles C4'-P-C4' energy: -57.737
flat angles P-C4'-P energy: -31.510
tors. eta vs tors. theta energy: -52.838
Dist. restrs. and SS energy: 8.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -1206.658691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.658691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.483789 (E_RNA)
where:
Base-Base interactions energy: -848.025
where: short stacking energy: -353.099
Base-Backbone interact. energy: -3.589
local terms energy: -357.869934
where:
bonds (distance) C4'-P energy: -61.819
bonds (distance) P-C4' energy: -68.144
flat angles C4'-P-C4' energy: -77.050
flat angles P-C4'-P energy: -52.224
tors. eta vs tors. theta energy: -98.633
Dist. restrs. and SS energy: 2.825 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -1194.732910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.732910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.731780 (E_RNA)
where:
Base-Base interactions energy: -837.527
where: short stacking energy: -343.267
Base-Backbone interact. energy: -2.364
local terms energy: -357.841469
where:
bonds (distance) C4'-P energy: -61.584
bonds (distance) P-C4' energy: -74.820
flat angles C4'-P-C4' energy: -69.790
flat angles P-C4'-P energy: -50.868
tors. eta vs tors. theta energy: -100.780
Dist. restrs. and SS energy: 2.999 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -1130.081655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.081655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.451582 (E_RNA)
where:
Base-Base interactions energy: -786.626
where: short stacking energy: -320.198
Base-Backbone interact. energy: -0.127
local terms energy: -346.699245
where:
bonds (distance) C4'-P energy: -68.431
bonds (distance) P-C4' energy: -59.409
flat angles C4'-P-C4' energy: -82.162
flat angles P-C4'-P energy: -48.726
tors. eta vs tors. theta energy: -87.972
Dist. restrs. and SS energy: 3.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -1071.039420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.039420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.851246 (E_RNA)
where:
Base-Base interactions energy: -777.854
where: short stacking energy: -315.200
Base-Backbone interact. energy: -1.248
local terms energy: -295.748823
where:
bonds (distance) C4'-P energy: -52.180
bonds (distance) P-C4' energy: -49.386
flat angles C4'-P-C4' energy: -67.916
flat angles P-C4'-P energy: -45.517
tors. eta vs tors. theta energy: -80.750
Dist. restrs. and SS energy: 3.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -1018.772852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.772852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.798749 (E_RNA)
where:
Base-Base interactions energy: -703.258
where: short stacking energy: -277.670
Base-Backbone interact. energy: -1.128
local terms energy: -318.412376
where:
bonds (distance) C4'-P energy: -65.648
bonds (distance) P-C4' energy: -59.806
flat angles C4'-P-C4' energy: -71.507
flat angles P-C4'-P energy: -42.980
tors. eta vs tors. theta energy: -78.471
Dist. restrs. and SS energy: 4.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -1057.005049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.005049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.324517 (E_RNA)
where:
Base-Base interactions energy: -739.981
where: short stacking energy: -309.150
Base-Backbone interact. energy: -3.029
local terms energy: -318.314592
where:
bonds (distance) C4'-P energy: -55.154
bonds (distance) P-C4' energy: -51.425
flat angles C4'-P-C4' energy: -70.576
flat angles P-C4'-P energy: -48.497
tors. eta vs tors. theta energy: -92.663
Dist. restrs. and SS energy: 4.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -936.526539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.526539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.979021 (E_RNA)
where:
Base-Base interactions energy: -666.153
where: short stacking energy: -270.503
Base-Backbone interact. energy: -0.855
local terms energy: -276.970469
where:
bonds (distance) C4'-P energy: -54.369
bonds (distance) P-C4' energy: -54.929
flat angles C4'-P-C4' energy: -58.840
flat angles P-C4'-P energy: -43.306
tors. eta vs tors. theta energy: -65.526
Dist. restrs. and SS energy: 7.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -886.390767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.390767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.203024 (E_RNA)
where:
Base-Base interactions energy: -602.891
where: short stacking energy: -236.421
Base-Backbone interact. energy: 0.355
local terms energy: -289.666461
where:
bonds (distance) C4'-P energy: -54.950
bonds (distance) P-C4' energy: -55.750
flat angles C4'-P-C4' energy: -75.105
flat angles P-C4'-P energy: -41.151
tors. eta vs tors. theta energy: -62.711
Dist. restrs. and SS energy: 5.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -816.238504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.238504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.134860 (E_RNA)
where:
Base-Base interactions energy: -571.742
where: short stacking energy: -219.842
Base-Backbone interact. energy: -0.316
local terms energy: -252.076721
where:
bonds (distance) C4'-P energy: -52.704
bonds (distance) P-C4' energy: -50.362
flat angles C4'-P-C4' energy: -50.535
flat angles P-C4'-P energy: -47.392
tors. eta vs tors. theta energy: -51.083
Dist. restrs. and SS energy: 7.896 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -817.124634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.124634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.605720 (E_RNA)
where:
Base-Base interactions energy: -583.398
where: short stacking energy: -224.802
Base-Backbone interact. energy: 1.995
local terms energy: -243.202802
where:
bonds (distance) C4'-P energy: -55.001
bonds (distance) P-C4' energy: -52.950
flat angles C4'-P-C4' energy: -61.421
flat angles P-C4'-P energy: -29.425
tors. eta vs tors. theta energy: -44.406
Dist. restrs. and SS energy: 7.481 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -1216.140272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.140272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.050053 (E_RNA)
where:
Base-Base interactions energy: -852.917
where: short stacking energy: -348.434
Base-Backbone interact. energy: 0.714
local terms energy: -366.847042
where:
bonds (distance) C4'-P energy: -62.091
bonds (distance) P-C4' energy: -67.386
flat angles C4'-P-C4' energy: -78.681
flat angles P-C4'-P energy: -58.708
tors. eta vs tors. theta energy: -99.981
Dist. restrs. and SS energy: 2.910 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -1193.781794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.781794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.845662 (E_RNA)
where:
Base-Base interactions energy: -831.432
where: short stacking energy: -346.894
Base-Backbone interact. energy: -1.211
local terms energy: -364.202319
where:
bonds (distance) C4'-P energy: -68.127
bonds (distance) P-C4' energy: -68.462
flat angles C4'-P-C4' energy: -76.702
flat angles P-C4'-P energy: -43.494
tors. eta vs tors. theta energy: -107.418
Dist. restrs. and SS energy: 3.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -1161.496985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.496985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.694187 (E_RNA)
where:
Base-Base interactions energy: -816.400
where: short stacking energy: -335.748
Base-Backbone interact. energy: -2.192
local terms energy: -346.102365
where:
bonds (distance) C4'-P energy: -64.488
bonds (distance) P-C4' energy: -71.180
flat angles C4'-P-C4' energy: -70.799
flat angles P-C4'-P energy: -43.944
tors. eta vs tors. theta energy: -95.692
Dist. restrs. and SS energy: 3.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -1068.353680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.353680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.025303 (E_RNA)
where:
Base-Base interactions energy: -737.459
where: short stacking energy: -315.974
Base-Backbone interact. energy: -0.775
local terms energy: -333.791670
where:
bonds (distance) C4'-P energy: -67.322
bonds (distance) P-C4' energy: -56.704
flat angles C4'-P-C4' energy: -72.658
flat angles P-C4'-P energy: -45.678
tors. eta vs tors. theta energy: -91.429
Dist. restrs. and SS energy: 3.672 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -1028.217725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.217725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.462957 (E_RNA)
where:
Base-Base interactions energy: -703.274
where: short stacking energy: -273.122
Base-Backbone interact. energy: -2.872
local terms energy: -325.317097
where:
bonds (distance) C4'-P energy: -56.861
bonds (distance) P-C4' energy: -73.841
flat angles C4'-P-C4' energy: -72.095
flat angles P-C4'-P energy: -55.911
tors. eta vs tors. theta energy: -66.609
Dist. restrs. and SS energy: 3.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -988.754881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.754881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.856766 (E_RNA)
where:
Base-Base interactions energy: -706.943
where: short stacking energy: -271.417
Base-Backbone interact. energy: -1.948
local terms energy: -283.965723
where:
bonds (distance) C4'-P energy: -49.379
bonds (distance) P-C4' energy: -55.914
flat angles C4'-P-C4' energy: -54.615
flat angles P-C4'-P energy: -42.114
tors. eta vs tors. theta energy: -81.944
Dist. restrs. and SS energy: 4.102 (S_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: 455
Temperature: 1.200000
Total energy: -924.208207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.208207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.546444 (E_RNA)
where:
Base-Base interactions energy: -653.259
where: short stacking energy: -252.449
Base-Backbone interact. energy: 0.610
local terms energy: -275.897359
where:
bonds (distance) C4'-P energy: -53.894
bonds (distance) P-C4' energy: -53.536
flat angles C4'-P-C4' energy: -66.510
flat angles P-C4'-P energy: -45.780
tors. eta vs tors. theta energy: -56.177
Dist. restrs. and SS energy: 4.338 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -894.057890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.057890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.148886 (E_RNA)
where:
Base-Base interactions energy: -630.330
where: short stacking energy: -246.505
Base-Backbone interact. energy: -3.028
local terms energy: -268.791217
where:
bonds (distance) C4'-P energy: -51.701
bonds (distance) P-C4' energy: -45.864
flat angles C4'-P-C4' energy: -62.721
flat angles P-C4'-P energy: -33.424
tors. eta vs tors. theta energy: -75.080
Dist. restrs. and SS energy: 8.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -878.997986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.997986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.040245 (E_RNA)
where:
Base-Base interactions energy: -604.206
where: short stacking energy: -255.311
Base-Backbone interact. energy: 0.984
local terms energy: -285.818708
where:
bonds (distance) C4'-P energy: -61.549
bonds (distance) P-C4' energy: -56.531
flat angles C4'-P-C4' energy: -53.337
flat angles P-C4'-P energy: -40.830
tors. eta vs tors. theta energy: -73.572
Dist. restrs. and SS energy: 10.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -873.838905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.838905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.077254 (E_RNA)
where:
Base-Base interactions energy: -614.792
where: short stacking energy: -245.117
Base-Backbone interact. energy: -0.608
local terms energy: -264.676415
where:
bonds (distance) C4'-P energy: -60.693
bonds (distance) P-C4' energy: -53.693
flat angles C4'-P-C4' energy: -49.723
flat angles P-C4'-P energy: -37.118
tors. eta vs tors. theta energy: -63.449
Dist. restrs. and SS energy: 6.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -1209.005070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.005070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.970382 (E_RNA)
where:
Base-Base interactions energy: -837.049
where: short stacking energy: -341.358
Base-Backbone interact. energy: -1.490
local terms energy: -373.431173
where:
bonds (distance) C4'-P energy: -70.440
bonds (distance) P-C4' energy: -69.472
flat angles C4'-P-C4' energy: -77.340
flat angles P-C4'-P energy: -54.243
tors. eta vs tors. theta energy: -101.937
Dist. restrs. and SS energy: 2.965 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -1180.335546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.335546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.423026 (E_RNA)
where:
Base-Base interactions energy: -834.284
where: short stacking energy: -332.146
Base-Backbone interact. energy: -3.032
local terms energy: -346.106726
where:
bonds (distance) C4'-P energy: -62.957
bonds (distance) P-C4' energy: -54.200
flat angles C4'-P-C4' energy: -75.883
flat angles P-C4'-P energy: -56.207
tors. eta vs tors. theta energy: -96.860
Dist. restrs. and SS energy: 3.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -1182.634511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.634511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.254134 (E_RNA)
where:
Base-Base interactions energy: -836.974
where: short stacking energy: -340.606
Base-Backbone interact. energy: -2.598
local terms energy: -346.681965
where:
bonds (distance) C4'-P energy: -61.484
bonds (distance) P-C4' energy: -67.056
flat angles C4'-P-C4' energy: -69.775
flat angles P-C4'-P energy: -45.586
tors. eta vs tors. theta energy: -102.781
Dist. restrs. and SS energy: 3.620 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -1074.480722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.480722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.785856 (E_RNA)
where:
Base-Base interactions energy: -752.360
where: short stacking energy: -308.436
Base-Backbone interact. energy: -2.159
local terms energy: -323.266121
where:
bonds (distance) C4'-P energy: -59.217
bonds (distance) P-C4' energy: -68.046
flat angles C4'-P-C4' energy: -73.335
flat angles P-C4'-P energy: -43.019
tors. eta vs tors. theta energy: -79.649
Dist. restrs. and SS energy: 3.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -1022.476280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.476280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.746410 (E_RNA)
where:
Base-Base interactions energy: -701.437
where: short stacking energy: -285.623
Base-Backbone interact. energy: -1.538
local terms energy: -322.771013
where:
bonds (distance) C4'-P energy: -58.888
bonds (distance) P-C4' energy: -67.033
flat angles C4'-P-C4' energy: -75.325
flat angles P-C4'-P energy: -46.012
tors. eta vs tors. theta energy: -75.513
Dist. restrs. and SS energy: 3.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -1025.856395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.856395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.906397 (E_RNA)
where:
Base-Base interactions energy: -729.395
where: short stacking energy: -273.802
Base-Backbone interact. energy: -1.995
local terms energy: -297.516388
where:
bonds (distance) C4'-P energy: -53.378
bonds (distance) P-C4' energy: -54.451
flat angles C4'-P-C4' energy: -64.257
flat angles P-C4'-P energy: -51.961
tors. eta vs tors. theta energy: -73.470
Dist. restrs. and SS energy: 3.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -923.902144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.902144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.067019 (E_RNA)
where:
Base-Base interactions energy: -652.212
where: short stacking energy: -257.242
Base-Backbone interact. energy: -0.086
local terms energy: -277.769103
where:
bonds (distance) C4'-P energy: -57.528
bonds (distance) P-C4' energy: -52.441
flat angles C4'-P-C4' energy: -59.736
flat angles P-C4'-P energy: -48.268
tors. eta vs tors. theta energy: -59.795
Dist. restrs. and SS energy: 6.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -900.849226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.849226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.973782 (E_RNA)
where:
Base-Base interactions energy: -624.292
where: short stacking energy: -245.630
Base-Backbone interact. energy: -0.296
local terms energy: -283.385916
where:
bonds (distance) C4'-P energy: -59.812
bonds (distance) P-C4' energy: -58.301
flat angles C4'-P-C4' energy: -63.116
flat angles P-C4'-P energy: -42.677
tors. eta vs tors. theta energy: -59.480
Dist. restrs. and SS energy: 7.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -816.329744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.329744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.745673 (E_RNA)
where:
Base-Base interactions energy: -568.437
where: short stacking energy: -201.167
Base-Backbone interact. energy: -0.314
local terms energy: -259.994086
where:
bonds (distance) C4'-P energy: -52.698
bonds (distance) P-C4' energy: -67.663
flat angles C4'-P-C4' energy: -52.407
flat angles P-C4'-P energy: -41.313
tors. eta vs tors. theta energy: -45.914
Dist. restrs. and SS energy: 12.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -826.442983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.442983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.337214 (E_RNA)
where:
Base-Base interactions energy: -565.219
where: short stacking energy: -225.645
Base-Backbone interact. energy: 0.241
local terms energy: -271.358817
where:
bonds (distance) C4'-P energy: -52.013
bonds (distance) P-C4' energy: -63.219
flat angles C4'-P-C4' energy: -62.269
flat angles P-C4'-P energy: -40.937
tors. eta vs tors. theta energy: -52.921
Dist. restrs. and SS energy: 9.894 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -1218.457922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.457922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.462479 (E_RNA)
where:
Base-Base interactions energy: -861.206
where: short stacking energy: -350.150
Base-Backbone interact. energy: -2.245
local terms energy: -358.011374
where:
bonds (distance) C4'-P energy: -62.695
bonds (distance) P-C4' energy: -66.351
flat angles C4'-P-C4' energy: -79.160
flat angles P-C4'-P energy: -50.060
tors. eta vs tors. theta energy: -99.746
Dist. restrs. and SS energy: 3.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -1202.142421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.142421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.337587 (E_RNA)
where:
Base-Base interactions energy: -837.057
where: short stacking energy: -337.336
Base-Backbone interact. energy: -0.819
local terms energy: -367.462035
where:
bonds (distance) C4'-P energy: -66.189
bonds (distance) P-C4' energy: -79.310
flat angles C4'-P-C4' energy: -70.208
flat angles P-C4'-P energy: -56.840
tors. eta vs tors. theta energy: -94.916
Dist. restrs. and SS energy: 3.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -1185.780442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.780442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.787810 (E_RNA)
where:
Base-Base interactions energy: -827.966
where: short stacking energy: -332.511
Base-Backbone interact. energy: -2.343
local terms energy: -358.479399
where:
bonds (distance) C4'-P energy: -67.804
bonds (distance) P-C4' energy: -61.613
flat angles C4'-P-C4' energy: -75.391
flat angles P-C4'-P energy: -54.805
tors. eta vs tors. theta energy: -98.867
Dist. restrs. and SS energy: 3.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -1066.600363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.600363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.809758 (E_RNA)
where:
Base-Base interactions energy: -732.064
where: short stacking energy: -304.607
Base-Backbone interact. energy: 0.229
local terms energy: -338.975167
where:
bonds (distance) C4'-P energy: -59.217
bonds (distance) P-C4' energy: -72.367
flat angles C4'-P-C4' energy: -73.442
flat angles P-C4'-P energy: -53.530
tors. eta vs tors. theta energy: -80.419
Dist. restrs. and SS energy: 4.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -1041.101608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.101608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.753480 (E_RNA)
where:
Base-Base interactions energy: -714.271
where: short stacking energy: -288.615
Base-Backbone interact. energy: -0.994
local terms energy: -329.488096
where:
bonds (distance) C4'-P energy: -59.444
bonds (distance) P-C4' energy: -68.960
flat angles C4'-P-C4' energy: -78.336
flat angles P-C4'-P energy: -43.726
tors. eta vs tors. theta energy: -79.021
Dist. restrs. and SS energy: 3.652 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -1010.088298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.088298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.727286 (E_RNA)
where:
Base-Base interactions energy: -714.241
where: short stacking energy: -289.561
Base-Backbone interact. energy: -1.618
local terms energy: -297.868306
where:
bonds (distance) C4'-P energy: -58.109
bonds (distance) P-C4' energy: -55.192
flat angles C4'-P-C4' energy: -62.323
flat angles P-C4'-P energy: -46.156
tors. eta vs tors. theta energy: -76.089
Dist. restrs. and SS energy: 3.639 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -947.150767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.150767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.221656 (E_RNA)
where:
Base-Base interactions energy: -640.115
where: short stacking energy: -269.972
Base-Backbone interact. energy: 0.107
local terms energy: -311.212882
where:
bonds (distance) C4'-P energy: -61.923
bonds (distance) P-C4' energy: -68.607
flat angles C4'-P-C4' energy: -60.512
flat angles P-C4'-P energy: -47.502
tors. eta vs tors. theta energy: -72.669
Dist. restrs. and SS energy: 4.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -962.059564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.059564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.152849 (E_RNA)
where:
Base-Base interactions energy: -676.935
where: short stacking energy: -259.427
Base-Backbone interact. energy: -0.891
local terms energy: -288.327083
where:
bonds (distance) C4'-P energy: -52.689
bonds (distance) P-C4' energy: -60.741
flat angles C4'-P-C4' energy: -65.800
flat angles P-C4'-P energy: -38.457
tors. eta vs tors. theta energy: -70.640
Dist. restrs. and SS energy: 4.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -816.064128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.064128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.048571 (E_RNA)
where:
Base-Base interactions energy: -576.923
where: short stacking energy: -223.558
Base-Backbone interact. energy: -0.086
local terms energy: -252.038863
where:
bonds (distance) C4'-P energy: -46.708
bonds (distance) P-C4' energy: -52.690
flat angles C4'-P-C4' energy: -63.710
flat angles P-C4'-P energy: -38.756
tors. eta vs tors. theta energy: -50.175
Dist. restrs. and SS energy: 12.984 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -827.880612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.880612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.672274 (E_RNA)
where:
Base-Base interactions energy: -587.580
where: short stacking energy: -225.696
Base-Backbone interact. energy: -1.448
local terms energy: -242.644761
where:
bonds (distance) C4'-P energy: -42.609
bonds (distance) P-C4' energy: -62.918
flat angles C4'-P-C4' energy: -46.760
flat angles P-C4'-P energy: -42.609
tors. eta vs tors. theta energy: -47.748
Dist. restrs. and SS energy: 3.792 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -1199.532543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.532543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.201991 (E_RNA)
where:
Base-Base interactions energy: -847.404
where: short stacking energy: -341.376
Base-Backbone interact. energy: -2.741
local terms energy: -352.056926
where:
bonds (distance) C4'-P energy: -64.609
bonds (distance) P-C4' energy: -64.015
flat angles C4'-P-C4' energy: -78.593
flat angles P-C4'-P energy: -53.858
tors. eta vs tors. theta energy: -90.982
Dist. restrs. and SS energy: 2.669 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -1164.314784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.314784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.737507 (E_RNA)
where:
Base-Base interactions energy: -815.261
where: short stacking energy: -326.658
Base-Backbone interact. energy: -2.297
local terms energy: -350.179333
where:
bonds (distance) C4'-P energy: -65.087
bonds (distance) P-C4' energy: -69.414
flat angles C4'-P-C4' energy: -73.735
flat angles P-C4'-P energy: -52.310
tors. eta vs tors. theta energy: -89.632
Dist. restrs. and SS energy: 3.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -1188.475986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.475986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.720163 (E_RNA)
where:
Base-Base interactions energy: -830.864
where: short stacking energy: -335.364
Base-Backbone interact. energy: -4.376
local terms energy: -356.479733
where:
bonds (distance) C4'-P energy: -57.776
bonds (distance) P-C4' energy: -57.654
flat angles C4'-P-C4' energy: -81.995
flat angles P-C4'-P energy: -54.566
tors. eta vs tors. theta energy: -104.490
Dist. restrs. and SS energy: 3.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -1048.121511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.121511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.117303 (E_RNA)
where:
Base-Base interactions energy: -714.028
where: short stacking energy: -275.038
Base-Backbone interact. energy: -3.102
local terms energy: -333.987759
where:
bonds (distance) C4'-P energy: -72.310
bonds (distance) P-C4' energy: -63.540
flat angles C4'-P-C4' energy: -78.069
flat angles P-C4'-P energy: -48.806
tors. eta vs tors. theta energy: -71.262
Dist. restrs. and SS energy: 2.996 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -1055.697619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.697619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.015881 (E_RNA)
where:
Base-Base interactions energy: -729.462
where: short stacking energy: -294.257
Base-Backbone interact. energy: -3.061
local terms energy: -329.492881
where:
bonds (distance) C4'-P energy: -65.201
bonds (distance) P-C4' energy: -62.110
flat angles C4'-P-C4' energy: -66.567
flat angles P-C4'-P energy: -53.812
tors. eta vs tors. theta energy: -81.802
Dist. restrs. and SS energy: 6.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -994.597046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.597046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.171367 (E_RNA)
where:
Base-Base interactions energy: -716.608
where: short stacking energy: -277.742
Base-Backbone interact. energy: 1.608
local terms energy: -283.171953
where:
bonds (distance) C4'-P energy: -50.079
bonds (distance) P-C4' energy: -62.144
flat angles C4'-P-C4' energy: -55.876
flat angles P-C4'-P energy: -43.785
tors. eta vs tors. theta energy: -71.288
Dist. restrs. and SS energy: 3.574 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -913.583472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.583472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.047941 (E_RNA)
where:
Base-Base interactions energy: -628.953
where: short stacking energy: -233.200
Base-Backbone interact. energy: 3.822
local terms energy: -297.916799
where:
bonds (distance) C4'-P energy: -53.849
bonds (distance) P-C4' energy: -59.874
flat angles C4'-P-C4' energy: -74.350
flat angles P-C4'-P energy: -45.738
tors. eta vs tors. theta energy: -64.106
Dist. restrs. and SS energy: 9.464 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -884.266959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.266959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.513378 (E_RNA)
where:
Base-Base interactions energy: -631.223
where: short stacking energy: -239.846
Base-Backbone interact. energy: 3.642
local terms energy: -259.932706
where:
bonds (distance) C4'-P energy: -64.730
bonds (distance) P-C4' energy: -47.251
flat angles C4'-P-C4' energy: -58.248
flat angles P-C4'-P energy: -26.835
tors. eta vs tors. theta energy: -62.869
Dist. restrs. and SS energy: 3.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -905.954472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.954472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.245566 (E_RNA)
where:
Base-Base interactions energy: -650.436
where: short stacking energy: -261.380
Base-Backbone interact. energy: -1.397
local terms energy: -263.412689
where:
bonds (distance) C4'-P energy: -53.452
bonds (distance) P-C4' energy: -61.452
flat angles C4'-P-C4' energy: -51.314
flat angles P-C4'-P energy: -29.858
tors. eta vs tors. theta energy: -67.338
Dist. restrs. and SS energy: 9.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -781.513971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.513971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.423667 (E_RNA)
where:
Base-Base interactions energy: -532.974
where: short stacking energy: -210.902
Base-Backbone interact. energy: 3.492
local terms energy: -262.942046
where:
bonds (distance) C4'-P energy: -53.769
bonds (distance) P-C4' energy: -62.362
flat angles C4'-P-C4' energy: -53.664
flat angles P-C4'-P energy: -43.025
tors. eta vs tors. theta energy: -50.122
Dist. restrs. and SS energy: 10.910 (S_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: 459
Temperature: 0.900000
Total energy: -1209.917772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.917772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.850045 (E_RNA)
where:
Base-Base interactions energy: -847.939
where: short stacking energy: -344.456
Base-Backbone interact. energy: -2.026
local terms energy: -362.885091
where:
bonds (distance) C4'-P energy: -52.701
bonds (distance) P-C4' energy: -76.771
flat angles C4'-P-C4' energy: -68.368
flat angles P-C4'-P energy: -62.898
tors. eta vs tors. theta energy: -102.147
Dist. restrs. and SS energy: 2.932 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -1159.310853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.310853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.736674 (E_RNA)
where:
Base-Base interactions energy: -805.005
where: short stacking energy: -341.018
Base-Backbone interact. energy: -3.028
local terms energy: -354.703510
where:
bonds (distance) C4'-P energy: -60.629
bonds (distance) P-C4' energy: -75.334
flat angles C4'-P-C4' energy: -76.959
flat angles P-C4'-P energy: -44.637
tors. eta vs tors. theta energy: -97.145
Dist. restrs. and SS energy: 3.426 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -1186.072553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.072553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.106471 (E_RNA)
where:
Base-Base interactions energy: -828.568
where: short stacking energy: -343.829
Base-Backbone interact. energy: -2.388
local terms energy: -358.150327
where:
bonds (distance) C4'-P energy: -69.893
bonds (distance) P-C4' energy: -64.058
flat angles C4'-P-C4' energy: -78.290
flat angles P-C4'-P energy: -48.729
tors. eta vs tors. theta energy: -97.179
Dist. restrs. and SS energy: 3.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -1084.367193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.367193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.570349 (E_RNA)
where:
Base-Base interactions energy: -753.749
where: short stacking energy: -309.982
Base-Backbone interact. energy: -1.441
local terms energy: -332.380609
where:
bonds (distance) C4'-P energy: -60.128
bonds (distance) P-C4' energy: -64.978
flat angles C4'-P-C4' energy: -73.817
flat angles P-C4'-P energy: -46.650
tors. eta vs tors. theta energy: -86.808
Dist. restrs. and SS energy: 3.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -1032.189057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.189057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.949223 (E_RNA)
where:
Base-Base interactions energy: -700.971
where: short stacking energy: -269.808
Base-Backbone interact. energy: -2.245
local terms energy: -332.733849
where:
bonds (distance) C4'-P energy: -59.445
bonds (distance) P-C4' energy: -72.828
flat angles C4'-P-C4' energy: -66.627
flat angles P-C4'-P energy: -57.386
tors. eta vs tors. theta energy: -76.448
Dist. restrs. and SS energy: 3.760 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -995.553180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.553180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.249609 (E_RNA)
where:
Base-Base interactions energy: -697.552
where: short stacking energy: -265.361
Base-Backbone interact. energy: -2.844
local terms energy: -298.854462
where:
bonds (distance) C4'-P energy: -54.688
bonds (distance) P-C4' energy: -64.668
flat angles C4'-P-C4' energy: -67.505
flat angles P-C4'-P energy: -39.769
tors. eta vs tors. theta energy: -72.225
Dist. restrs. and SS energy: 3.696 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -936.238950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.238950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.280445 (E_RNA)
where:
Base-Base interactions energy: -655.724
where: short stacking energy: -250.216
Base-Backbone interact. energy: 0.892
local terms energy: -289.448180
where:
bonds (distance) C4'-P energy: -62.101
bonds (distance) P-C4' energy: -66.033
flat angles C4'-P-C4' energy: -57.625
flat angles P-C4'-P energy: -38.385
tors. eta vs tors. theta energy: -65.304
Dist. restrs. and SS energy: 8.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -914.997810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.997810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.552988 (E_RNA)
where:
Base-Base interactions energy: -644.184
where: short stacking energy: -249.410
Base-Backbone interact. energy: -1.289
local terms energy: -275.080752
where:
bonds (distance) C4'-P energy: -47.756
bonds (distance) P-C4' energy: -63.901
flat angles C4'-P-C4' energy: -60.417
flat angles P-C4'-P energy: -34.676
tors. eta vs tors. theta energy: -68.330
Dist. restrs. and SS energy: 5.555 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -862.720539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.720539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.014451 (E_RNA)
where:
Base-Base interactions energy: -606.318
where: short stacking energy: -231.658
Base-Backbone interact. energy: -1.893
local terms energy: -260.802955
where:
bonds (distance) C4'-P energy: -59.106
bonds (distance) P-C4' energy: -70.424
flat angles C4'-P-C4' energy: -49.737
flat angles P-C4'-P energy: -28.644
tors. eta vs tors. theta energy: -52.891
Dist. restrs. and SS energy: 6.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -775.775425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.775425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.735985 (E_RNA)
where:
Base-Base interactions energy: -551.807
where: short stacking energy: -208.506
Base-Backbone interact. energy: 0.204
local terms energy: -234.133606
where:
bonds (distance) C4'-P energy: -28.594
bonds (distance) P-C4' energy: -52.882
flat angles C4'-P-C4' energy: -58.448
flat angles P-C4'-P energy: -44.407
tors. eta vs tors. theta energy: -49.803
Dist. restrs. and SS energy: 9.961 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -1194.468510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.468510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.279164 (E_RNA)
where:
Base-Base interactions energy: -846.088
where: short stacking energy: -345.879
Base-Backbone interact. energy: -1.518
local terms energy: -349.672933
where:
bonds (distance) C4'-P energy: -63.478
bonds (distance) P-C4' energy: -71.939
flat angles C4'-P-C4' energy: -77.475
flat angles P-C4'-P energy: -40.141
tors. eta vs tors. theta energy: -96.640
Dist. restrs. and SS energy: 2.811 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -1159.565538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.565538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.768882 (E_RNA)
where:
Base-Base interactions energy: -800.943
where: short stacking energy: -327.553
Base-Backbone interact. energy: 1.531
local terms energy: -364.356335
where:
bonds (distance) C4'-P energy: -68.548
bonds (distance) P-C4' energy: -68.611
flat angles C4'-P-C4' energy: -78.741
flat angles P-C4'-P energy: -52.521
tors. eta vs tors. theta energy: -95.935
Dist. restrs. and SS energy: 4.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -1177.789339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.789339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.478236 (E_RNA)
where:
Base-Base interactions energy: -852.698
where: short stacking energy: -325.211
Base-Backbone interact. energy: -0.928
local terms energy: -326.852103
where:
bonds (distance) C4'-P energy: -59.803
bonds (distance) P-C4' energy: -70.275
flat angles C4'-P-C4' energy: -62.159
flat angles P-C4'-P energy: -50.548
tors. eta vs tors. theta energy: -84.066
Dist. restrs. and SS energy: 2.689 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -1078.077804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.077804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.903033 (E_RNA)
where:
Base-Base interactions energy: -735.998
where: short stacking energy: -311.036
Base-Backbone interact. energy: -2.383
local terms energy: -342.521936
where:
bonds (distance) C4'-P energy: -62.320
bonds (distance) P-C4' energy: -72.097
flat angles C4'-P-C4' energy: -78.575
flat angles P-C4'-P energy: -45.363
tors. eta vs tors. theta energy: -84.167
Dist. restrs. and SS energy: 2.825 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -1046.183535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.183535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.692096 (E_RNA)
where:
Base-Base interactions energy: -732.111
where: short stacking energy: -292.172
Base-Backbone interact. energy: -0.904
local terms energy: -317.677633
where:
bonds (distance) C4'-P energy: -54.081
bonds (distance) P-C4' energy: -70.326
flat angles C4'-P-C4' energy: -70.427
flat angles P-C4'-P energy: -41.738
tors. eta vs tors. theta energy: -81.105
Dist. restrs. and SS energy: 4.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -989.487487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.487487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.333651 (E_RNA)
where:
Base-Base interactions energy: -702.000
where: short stacking energy: -282.748
Base-Backbone interact. energy: -0.614
local terms energy: -290.719297
where:
bonds (distance) C4'-P energy: -56.987
bonds (distance) P-C4' energy: -59.268
flat angles C4'-P-C4' energy: -61.264
flat angles P-C4'-P energy: -43.249
tors. eta vs tors. theta energy: -69.951
Dist. restrs. and SS energy: 3.846 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -912.940780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.940780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.230520 (E_RNA)
where:
Base-Base interactions energy: -636.486
where: short stacking energy: -257.151
Base-Backbone interact. energy: -1.447
local terms energy: -282.297011
where:
bonds (distance) C4'-P energy: -59.625
bonds (distance) P-C4' energy: -56.582
flat angles C4'-P-C4' energy: -66.991
flat angles P-C4'-P energy: -30.882
tors. eta vs tors. theta energy: -68.218
Dist. restrs. and SS energy: 7.290 (S_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: 460
Temperature: 1.250000
Total energy: -914.184851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.184851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.726507 (E_RNA)
where:
Base-Base interactions energy: -630.878
where: short stacking energy: -244.034
Base-Backbone interact. energy: 0.263
local terms energy: -290.111601
where:
bonds (distance) C4'-P energy: -53.288
bonds (distance) P-C4' energy: -70.239
flat angles C4'-P-C4' energy: -64.850
flat angles P-C4'-P energy: -42.289
tors. eta vs tors. theta energy: -59.445
Dist. restrs. and SS energy: 6.542 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -867.487393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.487393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.633511 (E_RNA)
where:
Base-Base interactions energy: -620.196
where: short stacking energy: -245.654
Base-Backbone interact. energy: 4.675
local terms energy: -268.112481
where:
bonds (distance) C4'-P energy: -50.865
bonds (distance) P-C4' energy: -62.236
flat angles C4'-P-C4' energy: -66.291
flat angles P-C4'-P energy: -38.036
tors. eta vs tors. theta energy: -50.684
Dist. restrs. and SS energy: 16.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -865.436954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.436954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.943235 (E_RNA)
where:
Base-Base interactions energy: -598.742
where: short stacking energy: -240.104
Base-Backbone interact. energy: -1.829
local terms energy: -272.372153
where:
bonds (distance) C4'-P energy: -61.062
bonds (distance) P-C4' energy: -47.843
flat angles C4'-P-C4' energy: -59.939
flat angles P-C4'-P energy: -39.042
tors. eta vs tors. theta energy: -64.486
Dist. restrs. and SS energy: 7.506 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -1217.287898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.287898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.611038 (E_RNA)
where:
Base-Base interactions energy: -879.803
where: short stacking energy: -355.222
Base-Backbone interact. energy: -2.022
local terms energy: -338.785373
where:
bonds (distance) C4'-P energy: -70.349
bonds (distance) P-C4' energy: -57.362
flat angles C4'-P-C4' energy: -74.567
flat angles P-C4'-P energy: -42.375
tors. eta vs tors. theta energy: -94.132
Dist. restrs. and SS energy: 3.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -1204.416694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.416694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.040219 (E_RNA)
where:
Base-Base interactions energy: -829.419
where: short stacking energy: -339.962
Base-Backbone interact. energy: -1.551
local terms energy: -377.069375
where:
bonds (distance) C4'-P energy: -73.014
bonds (distance) P-C4' energy: -70.867
flat angles C4'-P-C4' energy: -75.776
flat angles P-C4'-P energy: -53.549
tors. eta vs tors. theta energy: -103.864
Dist. restrs. and SS energy: 3.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -1141.842580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.842580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.726305 (E_RNA)
where:
Base-Base interactions energy: -793.742
where: short stacking energy: -317.736
Base-Backbone interact. energy: -1.515
local terms energy: -350.469420
where:
bonds (distance) C4'-P energy: -67.911
bonds (distance) P-C4' energy: -67.806
flat angles C4'-P-C4' energy: -71.028
flat angles P-C4'-P energy: -44.927
tors. eta vs tors. theta energy: -98.798
Dist. restrs. and SS energy: 3.884 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -1051.418460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.418460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.571420 (E_RNA)
where:
Base-Base interactions energy: -715.819
where: short stacking energy: -304.149
Base-Backbone interact. energy: -2.971
local terms energy: -335.781332
where:
bonds (distance) C4'-P energy: -65.522
bonds (distance) P-C4' energy: -70.443
flat angles C4'-P-C4' energy: -65.978
flat angles P-C4'-P energy: -48.166
tors. eta vs tors. theta energy: -85.672
Dist. restrs. and SS energy: 3.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -1049.270196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.270196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.805515 (E_RNA)
where:
Base-Base interactions energy: -744.584
where: short stacking energy: -310.972
Base-Backbone interact. energy: 2.034
local terms energy: -310.255555
where:
bonds (distance) C4'-P energy: -67.729
bonds (distance) P-C4' energy: -60.520
flat angles C4'-P-C4' energy: -70.212
flat angles P-C4'-P energy: -38.731
tors. eta vs tors. theta energy: -73.063
Dist. restrs. and SS energy: 3.535 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -944.984600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.984600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.597370 (E_RNA)
where:
Base-Base interactions energy: -672.795
where: short stacking energy: -261.836
Base-Backbone interact. energy: -0.299
local terms energy: -277.503037
where:
bonds (distance) C4'-P energy: -59.352
bonds (distance) P-C4' energy: -60.635
flat angles C4'-P-C4' energy: -64.076
flat angles P-C4'-P energy: -35.581
tors. eta vs tors. theta energy: -57.859
Dist. restrs. and SS energy: 5.613 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -901.175728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.175728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.773757 (E_RNA)
where:
Base-Base interactions energy: -625.812
where: short stacking energy: -255.786
Base-Backbone interact. energy: -0.379
local terms energy: -285.582316
where:
bonds (distance) C4'-P energy: -52.281
bonds (distance) P-C4' energy: -64.466
flat angles C4'-P-C4' energy: -59.893
flat angles P-C4'-P energy: -40.278
tors. eta vs tors. theta energy: -68.665
Dist. restrs. and SS energy: 10.598 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -923.555280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.555280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.714973 (E_RNA)
where:
Base-Base interactions energy: -656.411
where: short stacking energy: -272.730
Base-Backbone interact. energy: 0.436
local terms energy: -273.740159
where:
bonds (distance) C4'-P energy: -58.614
bonds (distance) P-C4' energy: -45.673
flat angles C4'-P-C4' energy: -64.948
flat angles P-C4'-P energy: -43.853
tors. eta vs tors. theta energy: -60.653
Dist. restrs. and SS energy: 6.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -897.438031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.438031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.705838 (E_RNA)
where:
Base-Base interactions energy: -635.019
where: short stacking energy: -234.943
Base-Backbone interact. energy: 0.011
local terms energy: -266.698274
where:
bonds (distance) C4'-P energy: -53.616
bonds (distance) P-C4' energy: -58.687
flat angles C4'-P-C4' energy: -59.122
flat angles P-C4'-P energy: -39.081
tors. eta vs tors. theta energy: -56.193
Dist. restrs. and SS energy: 4.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -850.095843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.095843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.071369 (E_RNA)
where:
Base-Base interactions energy: -583.932
where: short stacking energy: -232.317
Base-Backbone interact. energy: -0.924
local terms energy: -270.215156
where:
bonds (distance) C4'-P energy: -57.639
bonds (distance) P-C4' energy: -60.972
flat angles C4'-P-C4' energy: -56.854
flat angles P-C4'-P energy: -44.452
tors. eta vs tors. theta energy: -50.298
Dist. restrs. and SS energy: 4.976 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -1220.002467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.002467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.122458 (E_RNA)
where:
Base-Base interactions energy: -859.736
where: short stacking energy: -358.096
Base-Backbone interact. energy: -3.056
local terms energy: -360.331038
where:
bonds (distance) C4'-P energy: -57.629
bonds (distance) P-C4' energy: -65.923
flat angles C4'-P-C4' energy: -77.871
flat angles P-C4'-P energy: -58.100
tors. eta vs tors. theta energy: -100.808
Dist. restrs. and SS energy: 3.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -1191.312883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.312883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.482528 (E_RNA)
where:
Base-Base interactions energy: -832.143
where: short stacking energy: -329.067
Base-Backbone interact. energy: 0.231
local terms energy: -362.570483
where:
bonds (distance) C4'-P energy: -64.681
bonds (distance) P-C4' energy: -72.642
flat angles C4'-P-C4' energy: -74.147
flat angles P-C4'-P energy: -55.368
tors. eta vs tors. theta energy: -95.733
Dist. restrs. and SS energy: 3.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -1130.135705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.135705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.381116 (E_RNA)
where:
Base-Base interactions energy: -796.440
where: short stacking energy: -336.594
Base-Backbone interact. energy: -0.983
local terms energy: -335.957258
where:
bonds (distance) C4'-P energy: -52.607
bonds (distance) P-C4' energy: -63.787
flat angles C4'-P-C4' energy: -75.610
flat angles P-C4'-P energy: -47.918
tors. eta vs tors. theta energy: -96.035
Dist. restrs. and SS energy: 3.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -1108.258064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.258064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.290633 (E_RNA)
where:
Base-Base interactions energy: -779.129
where: short stacking energy: -305.094
Base-Backbone interact. energy: -1.672
local terms energy: -331.489414
where:
bonds (distance) C4'-P energy: -60.057
bonds (distance) P-C4' energy: -64.857
flat angles C4'-P-C4' energy: -74.300
flat angles P-C4'-P energy: -41.895
tors. eta vs tors. theta energy: -90.381
Dist. restrs. and SS energy: 4.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -1041.384797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.384797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.796383 (E_RNA)
where:
Base-Base interactions energy: -731.445
where: short stacking energy: -290.857
Base-Backbone interact. energy: 0.126
local terms energy: -313.477763
where:
bonds (distance) C4'-P energy: -49.931
bonds (distance) P-C4' energy: -73.671
flat angles C4'-P-C4' energy: -72.871
flat angles P-C4'-P energy: -39.551
tors. eta vs tors. theta energy: -77.455
Dist. restrs. and SS energy: 3.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -959.068846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.068846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.537365 (E_RNA)
where:
Base-Base interactions energy: -665.692
where: short stacking energy: -262.175
Base-Backbone interact. energy: -1.587
local terms energy: -295.258589
where:
bonds (distance) C4'-P energy: -53.149
bonds (distance) P-C4' energy: -60.633
flat angles C4'-P-C4' energy: -67.568
flat angles P-C4'-P energy: -51.436
tors. eta vs tors. theta energy: -62.473
Dist. restrs. and SS energy: 3.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -896.710329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.710329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.158294 (E_RNA)
where:
Base-Base interactions energy: -612.120
where: short stacking energy: -240.922
Base-Backbone interact. energy: 0.921
local terms energy: -293.959302
where:
bonds (distance) C4'-P energy: -61.032
bonds (distance) P-C4' energy: -66.849
flat angles C4'-P-C4' energy: -72.522
flat angles P-C4'-P energy: -40.472
tors. eta vs tors. theta energy: -53.085
Dist. restrs. and SS energy: 8.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -907.595171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.595171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.317152 (E_RNA)
where:
Base-Base interactions energy: -631.066
where: short stacking energy: -248.392
Base-Backbone interact. energy: -0.014
local terms energy: -281.237384
where:
bonds (distance) C4'-P energy: -60.552
bonds (distance) P-C4' energy: -56.736
flat angles C4'-P-C4' energy: -62.269
flat angles P-C4'-P energy: -38.146
tors. eta vs tors. theta energy: -63.535
Dist. restrs. and SS energy: 4.722 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -883.129671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.129671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.663351 (E_RNA)
where:
Base-Base interactions energy: -629.686
where: short stacking energy: -241.596
Base-Backbone interact. energy: -2.030
local terms energy: -257.947880
where:
bonds (distance) C4'-P energy: -56.234
bonds (distance) P-C4' energy: -49.555
flat angles C4'-P-C4' energy: -61.953
flat angles P-C4'-P energy: -30.106
tors. eta vs tors. theta energy: -60.100
Dist. restrs. and SS energy: 6.534 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -856.827796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.827796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.446117 (E_RNA)
where:
Base-Base interactions energy: -606.261
where: short stacking energy: -240.364
Base-Backbone interact. energy: -0.309
local terms energy: -254.876133
where:
bonds (distance) C4'-P energy: -53.652
bonds (distance) P-C4' energy: -52.209
flat angles C4'-P-C4' energy: -60.076
flat angles P-C4'-P energy: -30.150
tors. eta vs tors. theta energy: -58.789
Dist. restrs. and SS energy: 4.618 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -1236.046296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.046296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.083333 (E_RNA)
where:
Base-Base interactions energy: -877.285
where: short stacking energy: -354.694
Base-Backbone interact. energy: -2.314
local terms energy: -359.484233
where:
bonds (distance) C4'-P energy: -66.931
bonds (distance) P-C4' energy: -63.183
flat angles C4'-P-C4' energy: -78.465
flat angles P-C4'-P energy: -50.500
tors. eta vs tors. theta energy: -100.405
Dist. restrs. and SS energy: 3.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -1213.973068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.973068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.682209 (E_RNA)
where:
Base-Base interactions energy: -854.578
where: short stacking energy: -342.782
Base-Backbone interact. energy: -3.935
local terms energy: -358.168976
where:
bonds (distance) C4'-P energy: -64.476
bonds (distance) P-C4' energy: -68.951
flat angles C4'-P-C4' energy: -71.218
flat angles P-C4'-P energy: -59.527
tors. eta vs tors. theta energy: -93.997
Dist. restrs. and SS energy: 2.709 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -1132.934144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.934144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.269336 (E_RNA)
where:
Base-Base interactions energy: -786.511
where: short stacking energy: -321.713
Base-Backbone interact. energy: 3.303
local terms energy: -353.061167
where:
bonds (distance) C4'-P energy: -61.328
bonds (distance) P-C4' energy: -71.188
flat angles C4'-P-C4' energy: -72.210
flat angles P-C4'-P energy: -59.642
tors. eta vs tors. theta energy: -88.694
Dist. restrs. and SS energy: 3.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -1078.819798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.819798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.599544 (E_RNA)
where:
Base-Base interactions energy: -752.285
where: short stacking energy: -297.645
Base-Backbone interact. energy: -0.968
local terms energy: -329.347255
where:
bonds (distance) C4'-P energy: -50.740
bonds (distance) P-C4' energy: -65.540
flat angles C4'-P-C4' energy: -74.136
flat angles P-C4'-P energy: -50.056
tors. eta vs tors. theta energy: -88.875
Dist. restrs. and SS energy: 3.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -1026.612463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.612463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.373677 (E_RNA)
where:
Base-Base interactions energy: -725.049
where: short stacking energy: -274.362
Base-Backbone interact. energy: -1.919
local terms energy: -302.405306
where:
bonds (distance) C4'-P energy: -58.934
bonds (distance) P-C4' energy: -63.567
flat angles C4'-P-C4' energy: -64.120
flat angles P-C4'-P energy: -41.314
tors. eta vs tors. theta energy: -74.470
Dist. restrs. and SS energy: 2.761 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -978.866399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.866399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.994480 (E_RNA)
where:
Base-Base interactions energy: -697.462
where: short stacking energy: -277.730
Base-Backbone interact. energy: -1.816
local terms energy: -283.716401
where:
bonds (distance) C4'-P energy: -50.702
bonds (distance) P-C4' energy: -54.007
flat angles C4'-P-C4' energy: -71.390
flat angles P-C4'-P energy: -39.360
tors. eta vs tors. theta energy: -68.258
Dist. restrs. and SS energy: 4.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -895.193868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.193868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.699452 (E_RNA)
where:
Base-Base interactions energy: -624.693
where: short stacking energy: -251.332
Base-Backbone interact. energy: -0.053
local terms energy: -274.953107
where:
bonds (distance) C4'-P energy: -50.861
bonds (distance) P-C4' energy: -60.307
flat angles C4'-P-C4' energy: -66.910
flat angles P-C4'-P energy: -43.806
tors. eta vs tors. theta energy: -53.069
Dist. restrs. and SS energy: 4.506 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -909.598698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.598698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.671806 (E_RNA)
where:
Base-Base interactions energy: -633.306
where: short stacking energy: -239.884
Base-Backbone interact. energy: -2.140
local terms energy: -279.226151
where:
bonds (distance) C4'-P energy: -56.086
bonds (distance) P-C4' energy: -72.262
flat angles C4'-P-C4' energy: -54.491
flat angles P-C4'-P energy: -44.092
tors. eta vs tors. theta energy: -52.294
Dist. restrs. and SS energy: 5.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -891.448659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.448659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.690537 (E_RNA)
where:
Base-Base interactions energy: -637.827
where: short stacking energy: -242.737
Base-Backbone interact. energy: 1.390
local terms energy: -260.253540
where:
bonds (distance) C4'-P energy: -61.549
bonds (distance) P-C4' energy: -61.637
flat angles C4'-P-C4' energy: -41.276
flat angles P-C4'-P energy: -33.168
tors. eta vs tors. theta energy: -62.623
Dist. restrs. and SS energy: 5.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -832.320604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.320604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.159478 (E_RNA)
where:
Base-Base interactions energy: -580.240
where: short stacking energy: -218.364
Base-Backbone interact. energy: -0.462
local terms energy: -255.457667
where:
bonds (distance) C4'-P energy: -67.579
bonds (distance) P-C4' energy: -51.318
flat angles C4'-P-C4' energy: -53.896
flat angles P-C4'-P energy: -31.744
tors. eta vs tors. theta energy: -50.921
Dist. restrs. and SS energy: 3.839 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -1217.801433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.801433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.850480 (E_RNA)
where:
Base-Base interactions energy: -855.216
where: short stacking energy: -333.732
Base-Backbone interact. energy: -2.013
local terms energy: -363.620882
where:
bonds (distance) C4'-P energy: -69.488
bonds (distance) P-C4' energy: -67.233
flat angles C4'-P-C4' energy: -76.181
flat angles P-C4'-P energy: -55.843
tors. eta vs tors. theta energy: -94.875
Dist. restrs. and SS energy: 3.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -1168.551726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.551726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.639218 (E_RNA)
where:
Base-Base interactions energy: -826.133
where: short stacking energy: -326.869
Base-Backbone interact. energy: -4.058
local terms energy: -341.448332
where:
bonds (distance) C4'-P energy: -66.484
bonds (distance) P-C4' energy: -65.964
flat angles C4'-P-C4' energy: -71.953
flat angles P-C4'-P energy: -46.850
tors. eta vs tors. theta energy: -90.197
Dist. restrs. and SS energy: 3.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -1140.405247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.405247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.696410 (E_RNA)
where:
Base-Base interactions energy: -797.382
where: short stacking energy: -338.206
Base-Backbone interact. energy: -2.831
local terms energy: -343.483876
where:
bonds (distance) C4'-P energy: -75.489
bonds (distance) P-C4' energy: -38.477
flat angles C4'-P-C4' energy: -69.799
flat angles P-C4'-P energy: -64.729
tors. eta vs tors. theta energy: -94.989
Dist. restrs. and SS energy: 3.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -1049.649353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.649353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.471731 (E_RNA)
where:
Base-Base interactions energy: -725.837
where: short stacking energy: -294.303
Base-Backbone interact. energy: -1.779
local terms energy: -325.856439
where:
bonds (distance) C4'-P energy: -56.415
bonds (distance) P-C4' energy: -70.707
flat angles C4'-P-C4' energy: -66.378
flat angles P-C4'-P energy: -56.181
tors. eta vs tors. theta energy: -76.176
Dist. restrs. and SS energy: 3.822 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -1067.790187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.790187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.998289 (E_RNA)
where:
Base-Base interactions energy: -743.877
where: short stacking energy: -291.419
Base-Backbone interact. energy: -1.187
local terms energy: -324.934702
where:
bonds (distance) C4'-P energy: -63.846
bonds (distance) P-C4' energy: -71.790
flat angles C4'-P-C4' energy: -72.710
flat angles P-C4'-P energy: -41.816
tors. eta vs tors. theta energy: -74.773
Dist. restrs. and SS energy: 2.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -992.768922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.768922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.275760 (E_RNA)
where:
Base-Base interactions energy: -696.629
where: short stacking energy: -287.460
Base-Backbone interact. energy: 0.961
local terms energy: -301.607418
where:
bonds (distance) C4'-P energy: -63.123
bonds (distance) P-C4' energy: -52.858
flat angles C4'-P-C4' energy: -71.590
flat angles P-C4'-P energy: -43.053
tors. eta vs tors. theta energy: -70.985
Dist. restrs. and SS energy: 4.507 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -954.986304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.986304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.308989 (E_RNA)
where:
Base-Base interactions energy: -695.113
where: short stacking energy: -267.619
Base-Backbone interact. energy: -1.237
local terms energy: -262.958814
where:
bonds (distance) C4'-P energy: -62.146
bonds (distance) P-C4' energy: -63.315
flat angles C4'-P-C4' energy: -40.727
flat angles P-C4'-P energy: -32.209
tors. eta vs tors. theta energy: -64.561
Dist. restrs. and SS energy: 4.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -901.798549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.798549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.532562 (E_RNA)
where:
Base-Base interactions energy: -621.746
where: short stacking energy: -250.584
Base-Backbone interact. energy: -2.343
local terms energy: -283.443503
where:
bonds (distance) C4'-P energy: -59.866
bonds (distance) P-C4' energy: -68.393
flat angles C4'-P-C4' energy: -62.791
flat angles P-C4'-P energy: -34.926
tors. eta vs tors. theta energy: -57.467
Dist. restrs. and SS energy: 5.734 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -858.452347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.452347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.062479 (E_RNA)
where:
Base-Base interactions energy: -603.600
where: short stacking energy: -224.152
Base-Backbone interact. energy: 1.410
local terms energy: -259.872915
where:
bonds (distance) C4'-P energy: -45.646
bonds (distance) P-C4' energy: -67.294
flat angles C4'-P-C4' energy: -61.192
flat angles P-C4'-P energy: -35.592
tors. eta vs tors. theta energy: -50.148
Dist. restrs. and SS energy: 3.610 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -860.259131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.259131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.441119 (E_RNA)
where:
Base-Base interactions energy: -598.113
where: short stacking energy: -218.063
Base-Backbone interact. energy: -0.868
local terms energy: -266.460641
where:
bonds (distance) C4'-P energy: -62.372
bonds (distance) P-C4' energy: -55.449
flat angles C4'-P-C4' energy: -57.914
flat angles P-C4'-P energy: -37.366
tors. eta vs tors. theta energy: -53.360
Dist. restrs. and SS energy: 5.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -1224.172516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.172516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.191087 (E_RNA)
where:
Base-Base interactions energy: -854.351
where: short stacking energy: -329.494
Base-Backbone interact. energy: -3.920
local terms energy: -368.919958
where:
bonds (distance) C4'-P energy: -73.015
bonds (distance) P-C4' energy: -72.804
flat angles C4'-P-C4' energy: -77.423
flat angles P-C4'-P energy: -51.410
tors. eta vs tors. theta energy: -94.268
Dist. restrs. and SS energy: 3.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -1191.030368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.030368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.158897 (E_RNA)
where:
Base-Base interactions energy: -849.858
where: short stacking energy: -339.183
Base-Backbone interact. energy: -5.445
local terms energy: -338.856189
where:
bonds (distance) C4'-P energy: -54.504
bonds (distance) P-C4' energy: -63.159
flat angles C4'-P-C4' energy: -68.965
flat angles P-C4'-P energy: -55.194
tors. eta vs tors. theta energy: -97.034
Dist. restrs. and SS energy: 3.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -1153.341433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.341433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.258124 (E_RNA)
where:
Base-Base interactions energy: -815.923
where: short stacking energy: -345.265
Base-Backbone interact. energy: -4.020
local terms energy: -336.315279
where:
bonds (distance) C4'-P energy: -55.773
bonds (distance) P-C4' energy: -63.605
flat angles C4'-P-C4' energy: -64.487
flat angles P-C4'-P energy: -50.341
tors. eta vs tors. theta energy: -102.109
Dist. restrs. and SS energy: 2.917 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -1082.412034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.412034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.149261 (E_RNA)
where:
Base-Base interactions energy: -773.105
where: short stacking energy: -314.988
Base-Backbone interact. energy: -0.905
local terms energy: -311.138788
where:
bonds (distance) C4'-P energy: -59.959
bonds (distance) P-C4' energy: -65.255
flat angles C4'-P-C4' energy: -69.500
flat angles P-C4'-P energy: -35.821
tors. eta vs tors. theta energy: -80.604
Dist. restrs. and SS energy: 2.737 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -991.966867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.966867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.127866 (E_RNA)
where:
Base-Base interactions energy: -687.717
where: short stacking energy: -271.553
Base-Backbone interact. energy: -0.818
local terms energy: -306.592813
where:
bonds (distance) C4'-P energy: -67.031
bonds (distance) P-C4' energy: -69.626
flat angles C4'-P-C4' energy: -66.875
flat angles P-C4'-P energy: -36.709
tors. eta vs tors. theta energy: -66.352
Dist. restrs. and SS energy: 3.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -974.992894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.992894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.123051 (E_RNA)
where:
Base-Base interactions energy: -675.199
where: short stacking energy: -264.298
Base-Backbone interact. energy: -0.810
local terms energy: -302.113588
where:
bonds (distance) C4'-P energy: -55.219
bonds (distance) P-C4' energy: -71.749
flat angles C4'-P-C4' energy: -67.446
flat angles P-C4'-P energy: -42.944
tors. eta vs tors. theta energy: -64.757
Dist. restrs. and SS energy: 3.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -962.423663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.423663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.692493 (E_RNA)
where:
Base-Base interactions energy: -679.278
where: short stacking energy: -258.678
Base-Backbone interact. energy: -2.499
local terms energy: -286.915674
where:
bonds (distance) C4'-P energy: -58.217
bonds (distance) P-C4' energy: -54.038
flat angles C4'-P-C4' energy: -64.488
flat angles P-C4'-P energy: -40.797
tors. eta vs tors. theta energy: -69.377
Dist. restrs. and SS energy: 6.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -889.081645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.081645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.296909 (E_RNA)
where:
Base-Base interactions energy: -615.344
where: short stacking energy: -238.614
Base-Backbone interact. energy: -2.149
local terms energy: -276.804000
where:
bonds (distance) C4'-P energy: -43.642
bonds (distance) P-C4' energy: -64.430
flat angles C4'-P-C4' energy: -58.635
flat angles P-C4'-P energy: -52.014
tors. eta vs tors. theta energy: -58.083
Dist. restrs. and SS energy: 5.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -873.099721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.099721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.889359 (E_RNA)
where:
Base-Base interactions energy: -617.430
where: short stacking energy: -240.084
Base-Backbone interact. energy: -1.366
local terms energy: -261.093247
where:
bonds (distance) C4'-P energy: -53.001
bonds (distance) P-C4' energy: -56.524
flat angles C4'-P-C4' energy: -61.511
flat angles P-C4'-P energy: -30.185
tors. eta vs tors. theta energy: -59.873
Dist. restrs. and SS energy: 6.790 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -843.769110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.769110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.319144 (E_RNA)
where:
Base-Base interactions energy: -593.325
where: short stacking energy: -235.512
Base-Backbone interact. energy: 1.024
local terms energy: -263.017531
where:
bonds (distance) C4'-P energy: -57.825
bonds (distance) P-C4' energy: -46.547
flat angles C4'-P-C4' energy: -53.941
flat angles P-C4'-P energy: -47.966
tors. eta vs tors. theta energy: -56.739
Dist. restrs. and SS energy: 11.550 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -1207.040206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.040206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.778744 (E_RNA)
where:
Base-Base interactions energy: -845.444
where: short stacking energy: -362.272
Base-Backbone interact. energy: -4.291
local terms energy: -360.043834
where:
bonds (distance) C4'-P energy: -63.171
bonds (distance) P-C4' energy: -71.881
flat angles C4'-P-C4' energy: -71.966
flat angles P-C4'-P energy: -50.588
tors. eta vs tors. theta energy: -102.437
Dist. restrs. and SS energy: 2.739 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -1213.567647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.567647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.149974 (E_RNA)
where:
Base-Base interactions energy: -843.038
where: short stacking energy: -347.292
Base-Backbone interact. energy: -0.076
local terms energy: -374.036549
where:
bonds (distance) C4'-P energy: -72.194
bonds (distance) P-C4' energy: -64.349
flat angles C4'-P-C4' energy: -76.848
flat angles P-C4'-P energy: -56.242
tors. eta vs tors. theta energy: -104.404
Dist. restrs. and SS energy: 3.582 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -1144.601469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.601469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.185588 (E_RNA)
where:
Base-Base interactions energy: -771.046
where: short stacking energy: -338.332
Base-Backbone interact. energy: -1.388
local terms energy: -375.751874
where:
bonds (distance) C4'-P energy: -63.986
bonds (distance) P-C4' energy: -74.577
flat angles C4'-P-C4' energy: -74.492
flat angles P-C4'-P energy: -60.770
tors. eta vs tors. theta energy: -101.928
Dist. restrs. and SS energy: 3.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -1049.125327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.125327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.243059 (E_RNA)
where:
Base-Base interactions energy: -713.838
where: short stacking energy: -291.743
Base-Backbone interact. energy: -1.388
local terms energy: -338.017101
where:
bonds (distance) C4'-P energy: -62.897
bonds (distance) P-C4' energy: -77.543
flat angles C4'-P-C4' energy: -67.479
flat angles P-C4'-P energy: -46.794
tors. eta vs tors. theta energy: -83.304
Dist. restrs. and SS energy: 4.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -1014.131263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.131263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.559099 (E_RNA)
where:
Base-Base interactions energy: -712.565
where: short stacking energy: -283.803
Base-Backbone interact. energy: -2.619
local terms energy: -302.375669
where:
bonds (distance) C4'-P energy: -55.786
bonds (distance) P-C4' energy: -58.387
flat angles C4'-P-C4' energy: -73.359
flat angles P-C4'-P energy: -44.389
tors. eta vs tors. theta energy: -70.454
Dist. restrs. and SS energy: 3.428 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -958.691822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.691822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.519965 (E_RNA)
where:
Base-Base interactions energy: -669.587
where: short stacking energy: -268.529
Base-Backbone interact. energy: -0.480
local terms energy: -293.452505
where:
bonds (distance) C4'-P energy: -48.309
bonds (distance) P-C4' energy: -70.068
flat angles C4'-P-C4' energy: -67.755
flat angles P-C4'-P energy: -40.155
tors. eta vs tors. theta energy: -67.166
Dist. restrs. and SS energy: 4.828 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -935.979131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.979131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.567505 (E_RNA)
where:
Base-Base interactions energy: -657.560
where: short stacking energy: -250.458
Base-Backbone interact. energy: -1.715
local terms energy: -282.292132
where:
bonds (distance) C4'-P energy: -56.766
bonds (distance) P-C4' energy: -64.308
flat angles C4'-P-C4' energy: -63.688
flat angles P-C4'-P energy: -36.892
tors. eta vs tors. theta energy: -60.638
Dist. restrs. and SS energy: 5.588 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -904.254768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.254768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.384253 (E_RNA)
where:
Base-Base interactions energy: -638.314
where: short stacking energy: -247.205
Base-Backbone interact. energy: 1.904
local terms energy: -270.974432
where:
bonds (distance) C4'-P energy: -59.414
bonds (distance) P-C4' energy: -52.111
flat angles C4'-P-C4' energy: -65.227
flat angles P-C4'-P energy: -42.987
tors. eta vs tors. theta energy: -51.236
Dist. restrs. and SS energy: 3.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -921.230955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.230955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.206070 (E_RNA)
where:
Base-Base interactions energy: -639.254
where: short stacking energy: -245.536
Base-Backbone interact. energy: -0.473
local terms energy: -286.479584
where:
bonds (distance) C4'-P energy: -55.830
bonds (distance) P-C4' energy: -63.163
flat angles C4'-P-C4' energy: -59.647
flat angles P-C4'-P energy: -49.715
tors. eta vs tors. theta energy: -58.125
Dist. restrs. and SS energy: 4.975 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -826.930223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.930223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.367999 (E_RNA)
where:
Base-Base interactions energy: -590.892
where: short stacking energy: -229.894
Base-Backbone interact. energy: -0.602
local terms energy: -242.874225
where:
bonds (distance) C4'-P energy: -39.527
bonds (distance) P-C4' energy: -44.232
flat angles C4'-P-C4' energy: -64.597
flat angles P-C4'-P energy: -45.577
tors. eta vs tors. theta energy: -48.940
Dist. restrs. and SS energy: 7.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -1241.658165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.658165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.496488 (E_RNA)
where:
Base-Base interactions energy: -876.442
where: short stacking energy: -361.889
Base-Backbone interact. energy: 0.218
local terms energy: -368.272377
where:
bonds (distance) C4'-P energy: -68.653
bonds (distance) P-C4' energy: -68.672
flat angles C4'-P-C4' energy: -72.299
flat angles P-C4'-P energy: -57.901
tors. eta vs tors. theta energy: -100.748
Dist. restrs. and SS energy: 2.838 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -1186.823082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.823082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.902748 (E_RNA)
where:
Base-Base interactions energy: -838.768
where: short stacking energy: -336.992
Base-Backbone interact. energy: -2.392
local terms energy: -348.743044
where:
bonds (distance) C4'-P energy: -62.374
bonds (distance) P-C4' energy: -73.493
flat angles C4'-P-C4' energy: -70.445
flat angles P-C4'-P energy: -46.392
tors. eta vs tors. theta energy: -96.039
Dist. restrs. and SS energy: 3.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -1114.164265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.164265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.249989 (E_RNA)
where:
Base-Base interactions energy: -770.387
where: short stacking energy: -315.309
Base-Backbone interact. energy: -2.849
local terms energy: -345.014736
where:
bonds (distance) C4'-P energy: -59.013
bonds (distance) P-C4' energy: -68.453
flat angles C4'-P-C4' energy: -71.121
flat angles P-C4'-P energy: -53.474
tors. eta vs tors. theta energy: -92.954
Dist. restrs. and SS energy: 4.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -1081.207677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.207677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.916954 (E_RNA)
where:
Base-Base interactions energy: -750.912
where: short stacking energy: -303.130
Base-Backbone interact. energy: -1.294
local terms energy: -332.711228
where:
bonds (distance) C4'-P energy: -54.422
bonds (distance) P-C4' energy: -66.623
flat angles C4'-P-C4' energy: -68.501
flat angles P-C4'-P energy: -56.055
tors. eta vs tors. theta energy: -87.111
Dist. restrs. and SS energy: 3.709 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -1029.062411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.062411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.284050 (E_RNA)
where:
Base-Base interactions energy: -706.977
where: short stacking energy: -289.276
Base-Backbone interact. energy: -2.544
local terms energy: -322.763602
where:
bonds (distance) C4'-P energy: -58.133
bonds (distance) P-C4' energy: -74.456
flat angles C4'-P-C4' energy: -65.371
flat angles P-C4'-P energy: -50.124
tors. eta vs tors. theta energy: -74.679
Dist. restrs. and SS energy: 3.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -973.034907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.034907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.092934 (E_RNA)
where:
Base-Base interactions energy: -661.993
where: short stacking energy: -273.930
Base-Backbone interact. energy: -1.553
local terms energy: -314.546807
where:
bonds (distance) C4'-P energy: -56.591
bonds (distance) P-C4' energy: -68.205
flat angles C4'-P-C4' energy: -68.261
flat angles P-C4'-P energy: -58.304
tors. eta vs tors. theta energy: -63.186
Dist. restrs. and SS energy: 5.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -922.046082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.046082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.861176 (E_RNA)
where:
Base-Base interactions energy: -621.648
where: short stacking energy: -231.984
Base-Backbone interact. energy: -1.400
local terms energy: -302.812629
where:
bonds (distance) C4'-P energy: -71.718
bonds (distance) P-C4' energy: -63.511
flat angles C4'-P-C4' energy: -69.137
flat angles P-C4'-P energy: -50.208
tors. eta vs tors. theta energy: -48.238
Dist. restrs. and SS energy: 3.815 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -897.427388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.427388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.815368 (E_RNA)
where:
Base-Base interactions energy: -609.851
where: short stacking energy: -235.897
Base-Backbone interact. energy: -2.047
local terms energy: -290.917668
where:
bonds (distance) C4'-P energy: -68.055
bonds (distance) P-C4' energy: -57.518
flat angles C4'-P-C4' energy: -64.017
flat angles P-C4'-P energy: -47.908
tors. eta vs tors. theta energy: -53.419
Dist. restrs. and SS energy: 5.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -921.501854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.501854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.270982 (E_RNA)
where:
Base-Base interactions energy: -647.814
where: short stacking energy: -257.333
Base-Backbone interact. energy: -1.419
local terms energy: -277.038142
where:
bonds (distance) C4'-P energy: -49.244
bonds (distance) P-C4' energy: -66.397
flat angles C4'-P-C4' energy: -60.759
flat angles P-C4'-P energy: -40.174
tors. eta vs tors. theta energy: -60.463
Dist. restrs. and SS energy: 4.769 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -858.655130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.655130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.303781 (E_RNA)
where:
Base-Base interactions energy: -624.183
where: short stacking energy: -248.257
Base-Backbone interact. energy: -1.963
local terms energy: -243.157938
where:
bonds (distance) C4'-P energy: -27.939
bonds (distance) P-C4' energy: -67.741
flat angles C4'-P-C4' energy: -50.021
flat angles P-C4'-P energy: -31.862
tors. eta vs tors. theta energy: -65.595
Dist. restrs. and SS energy: 10.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -1215.325425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.325425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.525051 (E_RNA)
where:
Base-Base interactions energy: -862.513
where: short stacking energy: -354.265
Base-Backbone interact. energy: 0.158
local terms energy: -356.169559
where:
bonds (distance) C4'-P energy: -62.267
bonds (distance) P-C4' energy: -67.153
flat angles C4'-P-C4' energy: -78.117
flat angles P-C4'-P energy: -49.104
tors. eta vs tors. theta energy: -99.528
Dist. restrs. and SS energy: 3.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -1219.996889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.996889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.258627 (E_RNA)
where:
Base-Base interactions energy: -845.481
where: short stacking energy: -348.945
Base-Backbone interact. energy: -3.777
local terms energy: -374.000537
where:
bonds (distance) C4'-P energy: -70.778
bonds (distance) P-C4' energy: -75.278
flat angles C4'-P-C4' energy: -73.401
flat angles P-C4'-P energy: -51.861
tors. eta vs tors. theta energy: -102.683
Dist. restrs. and SS energy: 3.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -1134.840287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.840287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.118047 (E_RNA)
where:
Base-Base interactions energy: -789.466
where: short stacking energy: -316.703
Base-Backbone interact. energy: -2.920
local terms energy: -345.731954
where:
bonds (distance) C4'-P energy: -68.992
bonds (distance) P-C4' energy: -67.916
flat angles C4'-P-C4' energy: -70.601
flat angles P-C4'-P energy: -48.626
tors. eta vs tors. theta energy: -89.598
Dist. restrs. and SS energy: 3.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -1103.837436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.837436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.962198 (E_RNA)
where:
Base-Base interactions energy: -766.020
where: short stacking energy: -322.031
Base-Backbone interact. energy: 0.384
local terms energy: -341.326349
where:
bonds (distance) C4'-P energy: -67.784
bonds (distance) P-C4' energy: -69.535
flat angles C4'-P-C4' energy: -78.124
flat angles P-C4'-P energy: -42.594
tors. eta vs tors. theta energy: -83.289
Dist. restrs. and SS energy: 3.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -1030.402322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.402322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.098213 (E_RNA)
where:
Base-Base interactions energy: -726.195
where: short stacking energy: -287.647
Base-Backbone interact. energy: -2.497
local terms energy: -304.406294
where:
bonds (distance) C4'-P energy: -50.945
bonds (distance) P-C4' energy: -67.257
flat angles C4'-P-C4' energy: -65.965
flat angles P-C4'-P energy: -49.077
tors. eta vs tors. theta energy: -71.163
Dist. restrs. and SS energy: 2.696 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -962.050760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.050760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.114750 (E_RNA)
where:
Base-Base interactions energy: -678.297
where: short stacking energy: -248.132
Base-Backbone interact. energy: -1.368
local terms energy: -285.450032
where:
bonds (distance) C4'-P energy: -62.718
bonds (distance) P-C4' energy: -63.779
flat angles C4'-P-C4' energy: -65.775
flat angles P-C4'-P energy: -34.030
tors. eta vs tors. theta energy: -59.148
Dist. restrs. and SS energy: 3.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -890.411737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.411737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.937503 (E_RNA)
where:
Base-Base interactions energy: -621.798
where: short stacking energy: -250.269
Base-Backbone interact. energy: -0.201
local terms energy: -272.939006
where:
bonds (distance) C4'-P energy: -46.640
bonds (distance) P-C4' energy: -71.863
flat angles C4'-P-C4' energy: -63.612
flat angles P-C4'-P energy: -34.364
tors. eta vs tors. theta energy: -56.461
Dist. restrs. and SS energy: 4.526 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -866.078834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.078834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.328015 (E_RNA)
where:
Base-Base interactions energy: -612.063
where: short stacking energy: -242.086
Base-Backbone interact. energy: -0.847
local terms energy: -261.417339
where:
bonds (distance) C4'-P energy: -58.640
bonds (distance) P-C4' energy: -55.205
flat angles C4'-P-C4' energy: -50.366
flat angles P-C4'-P energy: -38.247
tors. eta vs tors. theta energy: -58.959
Dist. restrs. and SS energy: 8.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -901.442901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.442901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.617569 (E_RNA)
where:
Base-Base interactions energy: -636.837
where: short stacking energy: -248.634
Base-Backbone interact. energy: 5.193
local terms energy: -275.973319
where:
bonds (distance) C4'-P energy: -62.680
bonds (distance) P-C4' energy: -53.122
flat angles C4'-P-C4' energy: -58.240
flat angles P-C4'-P energy: -41.271
tors. eta vs tors. theta energy: -60.659
Dist. restrs. and SS energy: 6.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -848.966598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.966598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.068085 (E_RNA)
where:
Base-Base interactions energy: -605.572
where: short stacking energy: -222.522
Base-Backbone interact. energy: -0.609
local terms energy: -250.886767
where:
bonds (distance) C4'-P energy: -50.035
bonds (distance) P-C4' energy: -54.536
flat angles C4'-P-C4' energy: -67.997
flat angles P-C4'-P energy: -31.433
tors. eta vs tors. theta energy: -46.886
Dist. restrs. and SS energy: 8.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -1236.753785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.753785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.652237 (E_RNA)
where:
Base-Base interactions energy: -881.444
where: short stacking energy: -345.482
Base-Backbone interact. energy: -0.187
local terms energy: -360.020785
where:
bonds (distance) C4'-P energy: -68.114
bonds (distance) P-C4' energy: -67.522
flat angles C4'-P-C4' energy: -72.311
flat angles P-C4'-P energy: -53.980
tors. eta vs tors. theta energy: -98.094
Dist. restrs. and SS energy: 4.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -1174.116525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.116525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.223471 (E_RNA)
where:
Base-Base interactions energy: -824.556
where: short stacking energy: -324.423
Base-Backbone interact. energy: 2.019
local terms energy: -354.687003
where:
bonds (distance) C4'-P energy: -67.844
bonds (distance) P-C4' energy: -79.174
flat angles C4'-P-C4' energy: -71.158
flat angles P-C4'-P energy: -48.687
tors. eta vs tors. theta energy: -87.824
Dist. restrs. and SS energy: 3.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -1136.335759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.335759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.122403 (E_RNA)
where:
Base-Base interactions energy: -799.189
where: short stacking energy: -321.343
Base-Backbone interact. energy: -0.975
local terms energy: -338.957870
where:
bonds (distance) C4'-P energy: -66.115
bonds (distance) P-C4' energy: -60.443
flat angles C4'-P-C4' energy: -75.879
flat angles P-C4'-P energy: -45.435
tors. eta vs tors. theta energy: -91.086
Dist. restrs. and SS energy: 2.787 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -1135.644296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.644296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.485084 (E_RNA)
where:
Base-Base interactions energy: -810.124
where: short stacking energy: -328.887
Base-Backbone interact. energy: 1.417
local terms energy: -330.777550
where:
bonds (distance) C4'-P energy: -58.546
bonds (distance) P-C4' energy: -51.705
flat angles C4'-P-C4' energy: -71.085
flat angles P-C4'-P energy: -49.148
tors. eta vs tors. theta energy: -100.294
Dist. restrs. and SS energy: 3.841 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -1034.139517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.139517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.564451 (E_RNA)
where:
Base-Base interactions energy: -733.842
where: short stacking energy: -287.540
Base-Backbone interact. energy: -2.935
local terms energy: -302.786589
where:
bonds (distance) C4'-P energy: -54.035
bonds (distance) P-C4' energy: -65.229
flat angles C4'-P-C4' energy: -70.273
flat angles P-C4'-P energy: -41.447
tors. eta vs tors. theta energy: -71.803
Dist. restrs. and SS energy: 5.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -976.844300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.844300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.355599 (E_RNA)
where:
Base-Base interactions energy: -681.336
where: short stacking energy: -261.433
Base-Backbone interact. energy: -1.595
local terms energy: -298.424522
where:
bonds (distance) C4'-P energy: -60.741
bonds (distance) P-C4' energy: -59.123
flat angles C4'-P-C4' energy: -65.592
flat angles P-C4'-P energy: -43.066
tors. eta vs tors. theta energy: -69.903
Dist. restrs. and SS energy: 4.511 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -890.721568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.721568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.986961 (E_RNA)
where:
Base-Base interactions energy: -624.968
where: short stacking energy: -269.023
Base-Backbone interact. energy: -0.059
local terms energy: -275.959430
where:
bonds (distance) C4'-P energy: -44.276
bonds (distance) P-C4' energy: -64.574
flat angles C4'-P-C4' energy: -65.477
flat angles P-C4'-P energy: -41.998
tors. eta vs tors. theta energy: -59.635
Dist. restrs. and SS energy: 10.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -905.474324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.474324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.765646 (E_RNA)
where:
Base-Base interactions energy: -632.895
where: short stacking energy: -255.066
Base-Backbone interact. energy: -0.793
local terms energy: -283.077177
where:
bonds (distance) C4'-P energy: -46.990
bonds (distance) P-C4' energy: -57.961
flat angles C4'-P-C4' energy: -60.788
flat angles P-C4'-P energy: -51.603
tors. eta vs tors. theta energy: -65.735
Dist. restrs. and SS energy: 11.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -858.078256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.078256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.540354 (E_RNA)
where:
Base-Base interactions energy: -614.652
where: short stacking energy: -240.940
Base-Backbone interact. energy: -1.557
local terms energy: -251.332057
where:
bonds (distance) C4'-P energy: -44.766
bonds (distance) P-C4' energy: -61.205
flat angles C4'-P-C4' energy: -49.217
flat angles P-C4'-P energy: -39.094
tors. eta vs tors. theta energy: -57.049
Dist. restrs. and SS energy: 9.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -881.183540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.183540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.954412 (E_RNA)
where:
Base-Base interactions energy: -624.597
where: short stacking energy: -243.423
Base-Backbone interact. energy: -1.308
local terms energy: -264.049360
where:
bonds (distance) C4'-P energy: -60.819
bonds (distance) P-C4' energy: -59.437
flat angles C4'-P-C4' energy: -61.678
flat angles P-C4'-P energy: -28.910
tors. eta vs tors. theta energy: -53.204
Dist. restrs. and SS energy: 8.771 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -1237.317732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.317732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.976558 (E_RNA)
where:
Base-Base interactions energy: -870.503
where: short stacking energy: -357.406
Base-Backbone interact. energy: 1.462
local terms energy: -371.935948
where:
bonds (distance) C4'-P energy: -69.745
bonds (distance) P-C4' energy: -65.407
flat angles C4'-P-C4' energy: -80.860
flat angles P-C4'-P energy: -56.458
tors. eta vs tors. theta energy: -99.466
Dist. restrs. and SS energy: 3.659 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -1177.174881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.174881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.862597 (E_RNA)
where:
Base-Base interactions energy: -829.162
where: short stacking energy: -335.208
Base-Backbone interact. energy: 1.110
local terms energy: -352.811236
where:
bonds (distance) C4'-P energy: -70.134
bonds (distance) P-C4' energy: -74.347
flat angles C4'-P-C4' energy: -64.428
flat angles P-C4'-P energy: -51.594
tors. eta vs tors. theta energy: -92.308
Dist. restrs. and SS energy: 3.688 (S_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: -1120.853127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.853127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.123747 (E_RNA)
where:
Base-Base interactions energy: -801.271
where: short stacking energy: -348.146
Base-Backbone interact. energy: -2.080
local terms energy: -320.772874
where:
bonds (distance) C4'-P energy: -49.892
bonds (distance) P-C4' energy: -62.550
flat angles C4'-P-C4' energy: -71.783
flat angles P-C4'-P energy: -44.053
tors. eta vs tors. theta energy: -92.496
Dist. restrs. and SS energy: 3.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -1109.525811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.525811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.228113 (E_RNA)
where:
Base-Base interactions energy: -778.837
where: short stacking energy: -318.984
Base-Backbone interact. energy: -1.115
local terms energy: -333.276177
where:
bonds (distance) C4'-P energy: -55.301
bonds (distance) P-C4' energy: -68.340
flat angles C4'-P-C4' energy: -71.809
flat angles P-C4'-P energy: -49.800
tors. eta vs tors. theta energy: -88.026
Dist. restrs. and SS energy: 3.702 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -1032.351654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.351654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.456225 (E_RNA)
where:
Base-Base interactions energy: -737.969
where: short stacking energy: -303.394
Base-Backbone interact. energy: -1.901
local terms energy: -295.586407
where:
bonds (distance) C4'-P energy: -55.142
bonds (distance) P-C4' energy: -70.487
flat angles C4'-P-C4' energy: -50.090
flat angles P-C4'-P energy: -45.641
tors. eta vs tors. theta energy: -74.227
Dist. restrs. and SS energy: 3.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -963.814210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.814210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.125102 (E_RNA)
where:
Base-Base interactions energy: -682.112
where: short stacking energy: -277.818
Base-Backbone interact. energy: -0.558
local terms energy: -285.454871
where:
bonds (distance) C4'-P energy: -58.481
bonds (distance) P-C4' energy: -67.727
flat angles C4'-P-C4' energy: -57.481
flat angles P-C4'-P energy: -35.159
tors. eta vs tors. theta energy: -66.606
Dist. restrs. and SS energy: 4.311 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -917.787272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.787272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.702979 (E_RNA)
where:
Base-Base interactions energy: -649.649
where: short stacking energy: -264.926
Base-Backbone interact. energy: -3.183
local terms energy: -274.870809
where:
bonds (distance) C4'-P energy: -58.663
bonds (distance) P-C4' energy: -62.503
flat angles C4'-P-C4' energy: -56.662
flat angles P-C4'-P energy: -42.170
tors. eta vs tors. theta energy: -54.872
Dist. restrs. and SS energy: 9.916 (S_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: 470
Temperature: 1.250000
Total energy: -883.008889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.008889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.038214 (E_RNA)
where:
Base-Base interactions energy: -609.321
where: short stacking energy: -236.730
Base-Backbone interact. energy: -0.268
local terms energy: -282.449304
where:
bonds (distance) C4'-P energy: -46.540
bonds (distance) P-C4' energy: -65.741
flat angles C4'-P-C4' energy: -63.452
flat angles P-C4'-P energy: -47.402
tors. eta vs tors. theta energy: -59.315
Dist. restrs. and SS energy: 9.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -887.695127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.695127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.470193 (E_RNA)
where:
Base-Base interactions energy: -613.852
where: short stacking energy: -246.520
Base-Backbone interact. energy: 3.266
local terms energy: -280.883735
where:
bonds (distance) C4'-P energy: -54.413
bonds (distance) P-C4' energy: -59.098
flat angles C4'-P-C4' energy: -72.298
flat angles P-C4'-P energy: -41.902
tors. eta vs tors. theta energy: -53.173
Dist. restrs. and SS energy: 3.775 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -832.794189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.794189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.424022 (E_RNA)
where:
Base-Base interactions energy: -563.795
where: short stacking energy: -205.639
Base-Backbone interact. energy: -0.189
local terms energy: -277.439773
where:
bonds (distance) C4'-P energy: -52.163
bonds (distance) P-C4' energy: -67.926
flat angles C4'-P-C4' energy: -67.531
flat angles P-C4'-P energy: -35.842
tors. eta vs tors. theta energy: -53.978
Dist. restrs. and SS energy: 8.630 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -1220.796660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.796660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.077105 (E_RNA)
where:
Base-Base interactions energy: -856.395
where: short stacking energy: -358.530
Base-Backbone interact. energy: -2.965
local terms energy: -364.717868
where:
bonds (distance) C4'-P energy: -60.903
bonds (distance) P-C4' energy: -66.367
flat angles C4'-P-C4' energy: -75.208
flat angles P-C4'-P energy: -60.274
tors. eta vs tors. theta energy: -101.965
Dist. restrs. and SS energy: 3.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -1190.119527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.119527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.287293 (E_RNA)
where:
Base-Base interactions energy: -844.728
where: short stacking energy: -345.561
Base-Backbone interact. energy: -0.176
local terms energy: -348.383171
where:
bonds (distance) C4'-P energy: -65.182
bonds (distance) P-C4' energy: -68.423
flat angles C4'-P-C4' energy: -66.981
flat angles P-C4'-P energy: -49.763
tors. eta vs tors. theta energy: -98.034
Dist. restrs. and SS energy: 3.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -1154.487425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.487425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.920868 (E_RNA)
where:
Base-Base interactions energy: -784.130
where: short stacking energy: -326.946
Base-Backbone interact. energy: -0.317
local terms energy: -373.474076
where:
bonds (distance) C4'-P energy: -75.473
bonds (distance) P-C4' energy: -73.274
flat angles C4'-P-C4' energy: -75.715
flat angles P-C4'-P energy: -55.932
tors. eta vs tors. theta energy: -93.081
Dist. restrs. and SS energy: 3.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -1108.633551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.633551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.790703 (E_RNA)
where:
Base-Base interactions energy: -780.243
where: short stacking energy: -329.781
Base-Backbone interact. energy: -1.079
local terms energy: -332.468781
where:
bonds (distance) C4'-P energy: -60.381
bonds (distance) P-C4' energy: -58.388
flat angles C4'-P-C4' energy: -73.098
flat angles P-C4'-P energy: -50.705
tors. eta vs tors. theta energy: -89.898
Dist. restrs. and SS energy: 5.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -1037.659191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.659191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.123161 (E_RNA)
where:
Base-Base interactions energy: -726.593
where: short stacking energy: -299.448
Base-Backbone interact. energy: -0.071
local terms energy: -315.459076
where:
bonds (distance) C4'-P energy: -65.420
bonds (distance) P-C4' energy: -55.740
flat angles C4'-P-C4' energy: -67.096
flat angles P-C4'-P energy: -48.246
tors. eta vs tors. theta energy: -78.957
Dist. restrs. and SS energy: 4.464 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -977.410792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.410792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.892957 (E_RNA)
where:
Base-Base interactions energy: -689.060
where: short stacking energy: -263.219
Base-Backbone interact. energy: -1.216
local terms energy: -296.616861
where:
bonds (distance) C4'-P energy: -58.496
bonds (distance) P-C4' energy: -64.433
flat angles C4'-P-C4' energy: -68.885
flat angles P-C4'-P energy: -38.722
tors. eta vs tors. theta energy: -66.081
Dist. restrs. and SS energy: 9.482 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -948.009140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.009140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.098198 (E_RNA)
where:
Base-Base interactions energy: -655.510
where: short stacking energy: -261.989
Base-Backbone interact. energy: -2.420
local terms energy: -295.168559
where:
bonds (distance) C4'-P energy: -59.222
bonds (distance) P-C4' energy: -72.699
flat angles C4'-P-C4' energy: -67.161
flat angles P-C4'-P energy: -35.816
tors. eta vs tors. theta energy: -60.269
Dist. restrs. and SS energy: 5.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -911.295727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.295727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.014259 (E_RNA)
where:
Base-Base interactions energy: -632.346
where: short stacking energy: -265.542
Base-Backbone interact. energy: -0.882
local terms energy: -284.786017
where:
bonds (distance) C4'-P energy: -58.448
bonds (distance) P-C4' energy: -60.520
flat angles C4'-P-C4' energy: -65.310
flat angles P-C4'-P energy: -33.634
tors. eta vs tors. theta energy: -66.875
Dist. restrs. and SS energy: 6.719 (S_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: 471
Temperature: 1.300000
Total energy: -863.041772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.041772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.835906 (E_RNA)
where:
Base-Base interactions energy: -614.856
where: short stacking energy: -220.244
Base-Backbone interact. energy: 0.833
local terms energy: -252.813046
where:
bonds (distance) C4'-P energy: -44.135
bonds (distance) P-C4' energy: -60.223
flat angles C4'-P-C4' energy: -48.687
flat angles P-C4'-P energy: -48.590
tors. eta vs tors. theta energy: -51.178
Dist. restrs. and SS energy: 3.794 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -805.714533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.714533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.672586 (E_RNA)
where:
Base-Base interactions energy: -557.937
where: short stacking energy: -213.862
Base-Backbone interact. energy: -1.742
local terms energy: -250.993407
where:
bonds (distance) C4'-P energy: -44.940
bonds (distance) P-C4' energy: -58.367
flat angles C4'-P-C4' energy: -56.090
flat angles P-C4'-P energy: -35.150
tors. eta vs tors. theta energy: -56.447
Dist. restrs. and SS energy: 4.958 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -1215.798955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.798955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.334934 (E_RNA)
where:
Base-Base interactions energy: -848.548
where: short stacking energy: -352.437
Base-Backbone interact. energy: -0.459
local terms energy: -370.327979
where:
bonds (distance) C4'-P energy: -68.634
bonds (distance) P-C4' energy: -72.373
flat angles C4'-P-C4' energy: -72.570
flat angles P-C4'-P energy: -55.100
tors. eta vs tors. theta energy: -101.651
Dist. restrs. and SS energy: 3.536 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -1168.958436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.958436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.420900 (E_RNA)
where:
Base-Base interactions energy: -802.745
where: short stacking energy: -335.687
Base-Backbone interact. energy: -3.658
local terms energy: -366.018338
where:
bonds (distance) C4'-P energy: -63.894
bonds (distance) P-C4' energy: -67.700
flat angles C4'-P-C4' energy: -74.624
flat angles P-C4'-P energy: -59.636
tors. eta vs tors. theta energy: -100.164
Dist. restrs. and SS energy: 3.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -1160.765575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.765575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.510224 (E_RNA)
where:
Base-Base interactions energy: -813.214
where: short stacking energy: -330.954
Base-Backbone interact. energy: -0.924
local terms energy: -350.372105
where:
bonds (distance) C4'-P energy: -72.576
bonds (distance) P-C4' energy: -60.976
flat angles C4'-P-C4' energy: -66.488
flat angles P-C4'-P energy: -48.107
tors. eta vs tors. theta energy: -102.226
Dist. restrs. and SS energy: 3.745 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -1103.602567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.602567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.311165 (E_RNA)
where:
Base-Base interactions energy: -763.453
where: short stacking energy: -313.626
Base-Backbone interact. energy: -1.989
local terms energy: -341.869308
where:
bonds (distance) C4'-P energy: -61.142
bonds (distance) P-C4' energy: -68.109
flat angles C4'-P-C4' energy: -67.247
flat angles P-C4'-P energy: -59.040
tors. eta vs tors. theta energy: -86.331
Dist. restrs. and SS energy: 3.709 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -1047.858317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.858317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.120228 (E_RNA)
where:
Base-Base interactions energy: -725.156
where: short stacking energy: -295.144
Base-Backbone interact. energy: 2.522
local terms energy: -328.486646
where:
bonds (distance) C4'-P energy: -62.168
bonds (distance) P-C4' energy: -61.770
flat angles C4'-P-C4' energy: -74.512
flat angles P-C4'-P energy: -49.997
tors. eta vs tors. theta energy: -80.040
Dist. restrs. and SS energy: 3.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -955.621294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.621294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.388109 (E_RNA)
where:
Base-Base interactions energy: -677.177
where: short stacking energy: -273.182
Base-Backbone interact. energy: -1.790
local terms energy: -280.421039
where:
bonds (distance) C4'-P energy: -44.950
bonds (distance) P-C4' energy: -63.922
flat angles C4'-P-C4' energy: -72.032
flat angles P-C4'-P energy: -35.553
tors. eta vs tors. theta energy: -63.964
Dist. restrs. and SS energy: 3.767 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -928.760344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.760344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.838740 (E_RNA)
where:
Base-Base interactions energy: -636.667
where: short stacking energy: -263.872
Base-Backbone interact. energy: 1.168
local terms energy: -298.339727
where:
bonds (distance) C4'-P energy: -64.375
bonds (distance) P-C4' energy: -66.518
flat angles C4'-P-C4' energy: -66.480
flat angles P-C4'-P energy: -36.682
tors. eta vs tors. theta energy: -64.285
Dist. restrs. and SS energy: 5.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -901.145286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.145286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.218054 (E_RNA)
where:
Base-Base interactions energy: -626.483
where: short stacking energy: -258.255
Base-Backbone interact. energy: -0.536
local terms energy: -279.200033
where:
bonds (distance) C4'-P energy: -52.764
bonds (distance) P-C4' energy: -67.048
flat angles C4'-P-C4' energy: -61.561
flat angles P-C4'-P energy: -35.429
tors. eta vs tors. theta energy: -62.398
Dist. restrs. and SS energy: 5.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -816.306148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.306148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.551834 (E_RNA)
where:
Base-Base interactions energy: -564.721
where: short stacking energy: -238.876
Base-Backbone interact. energy: -1.629
local terms energy: -261.201517
where:
bonds (distance) C4'-P energy: -63.548
bonds (distance) P-C4' energy: -45.462
flat angles C4'-P-C4' energy: -62.870
flat angles P-C4'-P energy: -27.591
tors. eta vs tors. theta energy: -61.731
Dist. restrs. and SS energy: 11.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -812.420896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.420896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.173907 (E_RNA)
where:
Base-Base interactions energy: -588.439
where: short stacking energy: -227.361
Base-Backbone interact. energy: -1.052
local terms energy: -234.682357
where:
bonds (distance) C4'-P energy: -50.961
bonds (distance) P-C4' energy: -43.504
flat angles C4'-P-C4' energy: -52.687
flat angles P-C4'-P energy: -30.415
tors. eta vs tors. theta energy: -57.115
Dist. restrs. and SS energy: 11.753 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -1218.365606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.365606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.189559 (E_RNA)
where:
Base-Base interactions energy: -846.164
where: short stacking energy: -353.603
Base-Backbone interact. energy: -1.291
local terms energy: -373.734288
where:
bonds (distance) C4'-P energy: -62.970
bonds (distance) P-C4' energy: -70.989
flat angles C4'-P-C4' energy: -71.118
flat angles P-C4'-P energy: -63.293
tors. eta vs tors. theta energy: -105.365
Dist. restrs. and SS energy: 2.824 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -1186.890121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.890121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.914820 (E_RNA)
where:
Base-Base interactions energy: -816.153
where: short stacking energy: -331.497
Base-Backbone interact. energy: -2.857
local terms energy: -371.905165
where:
bonds (distance) C4'-P energy: -77.799
bonds (distance) P-C4' energy: -65.997
flat angles C4'-P-C4' energy: -78.033
flat angles P-C4'-P energy: -51.219
tors. eta vs tors. theta energy: -98.857
Dist. restrs. and SS energy: 4.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -1132.734375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.734375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.252223 (E_RNA)
where:
Base-Base interactions energy: -781.987
where: short stacking energy: -313.790
Base-Backbone interact. energy: -2.533
local terms energy: -350.731828
where:
bonds (distance) C4'-P energy: -62.915
bonds (distance) P-C4' energy: -70.484
flat angles C4'-P-C4' energy: -77.067
flat angles P-C4'-P energy: -46.391
tors. eta vs tors. theta energy: -93.875
Dist. restrs. and SS energy: 2.518 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -1073.128701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.128701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.889064 (E_RNA)
where:
Base-Base interactions energy: -744.663
where: short stacking energy: -299.726
Base-Backbone interact. energy: -0.332
local terms energy: -331.893445
where:
bonds (distance) C4'-P energy: -65.767
bonds (distance) P-C4' energy: -73.231
flat angles C4'-P-C4' energy: -71.575
flat angles P-C4'-P energy: -39.693
tors. eta vs tors. theta energy: -81.627
Dist. restrs. and SS energy: 3.760 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -1040.995443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.995443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.967067 (E_RNA)
where:
Base-Base interactions energy: -722.796
where: short stacking energy: -282.315
Base-Backbone interact. energy: 0.282
local terms energy: -324.453389
where:
bonds (distance) C4'-P energy: -63.886
bonds (distance) P-C4' energy: -65.342
flat angles C4'-P-C4' energy: -73.537
flat angles P-C4'-P energy: -43.492
tors. eta vs tors. theta energy: -78.196
Dist. restrs. and SS energy: 5.972 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -942.760219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.760219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.257889 (E_RNA)
where:
Base-Base interactions energy: -655.593
where: short stacking energy: -266.693
Base-Backbone interact. energy: 0.009
local terms energy: -292.674156
where:
bonds (distance) C4'-P energy: -67.002
bonds (distance) P-C4' energy: -53.629
flat angles C4'-P-C4' energy: -61.305
flat angles P-C4'-P energy: -41.730
tors. eta vs tors. theta energy: -69.007
Dist. restrs. and SS energy: 5.498 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -956.377219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.377219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.304543 (E_RNA)
where:
Base-Base interactions energy: -677.774
where: short stacking energy: -264.347
Base-Backbone interact. energy: -0.339
local terms energy: -283.191320
where:
bonds (distance) C4'-P energy: -54.974
bonds (distance) P-C4' energy: -56.304
flat angles C4'-P-C4' energy: -62.805
flat angles P-C4'-P energy: -38.777
tors. eta vs tors. theta energy: -70.331
Dist. restrs. and SS energy: 4.927 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -902.316722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.316722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.432838 (E_RNA)
where:
Base-Base interactions energy: -634.823
where: short stacking energy: -250.567
Base-Backbone interact. energy: -0.971
local terms energy: -275.639663
where:
bonds (distance) C4'-P energy: -56.511
bonds (distance) P-C4' energy: -52.525
flat angles C4'-P-C4' energy: -65.446
flat angles P-C4'-P energy: -41.477
tors. eta vs tors. theta energy: -59.680
Dist. restrs. and SS energy: 9.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -812.642272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.642272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.962274 (E_RNA)
where:
Base-Base interactions energy: -572.241
where: short stacking energy: -236.391
Base-Backbone interact. energy: -0.277
local terms energy: -249.443763
where:
bonds (distance) C4'-P energy: -49.414
bonds (distance) P-C4' energy: -52.583
flat angles C4'-P-C4' energy: -60.924
flat angles P-C4'-P energy: -29.187
tors. eta vs tors. theta energy: -57.335
Dist. restrs. and SS energy: 9.320 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -807.456652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.456652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.752377 (E_RNA)
where:
Base-Base interactions energy: -555.283
where: short stacking energy: -239.191
Base-Backbone interact. energy: -1.608
local terms energy: -260.861374
where:
bonds (distance) C4'-P energy: -57.540
bonds (distance) P-C4' energy: -46.842
flat angles C4'-P-C4' energy: -62.273
flat angles P-C4'-P energy: -36.350
tors. eta vs tors. theta energy: -57.856
Dist. restrs. and SS energy: 10.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -1221.485450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.485450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.190551 (E_RNA)
where:
Base-Base interactions energy: -845.858
where: short stacking energy: -351.936
Base-Backbone interact. energy: 1.633
local terms energy: -380.966323
where:
bonds (distance) C4'-P energy: -68.878
bonds (distance) P-C4' energy: -74.289
flat angles C4'-P-C4' energy: -75.482
flat angles P-C4'-P energy: -58.516
tors. eta vs tors. theta energy: -103.801
Dist. restrs. and SS energy: 3.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -1214.216517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.216517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.478329 (E_RNA)
where:
Base-Base interactions energy: -843.777
where: short stacking energy: -325.117
Base-Backbone interact. energy: -1.882
local terms energy: -371.819116
where:
bonds (distance) C4'-P energy: -70.504
bonds (distance) P-C4' energy: -64.424
flat angles C4'-P-C4' energy: -80.696
flat angles P-C4'-P energy: -56.946
tors. eta vs tors. theta energy: -99.249
Dist. restrs. and SS energy: 3.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -1123.236113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.236113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.077725 (E_RNA)
where:
Base-Base interactions energy: -788.514
where: short stacking energy: -319.367
Base-Backbone interact. energy: -1.217
local terms energy: -337.346042
where:
bonds (distance) C4'-P energy: -66.985
bonds (distance) P-C4' energy: -63.410
flat angles C4'-P-C4' energy: -70.277
flat angles P-C4'-P energy: -50.825
tors. eta vs tors. theta energy: -85.849
Dist. restrs. and SS energy: 3.842 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -1091.847034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.847034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.955914 (E_RNA)
where:
Base-Base interactions energy: -772.678
where: short stacking energy: -300.461
Base-Backbone interact. energy: -0.973
local terms energy: -323.305233
where:
bonds (distance) C4'-P energy: -65.740
bonds (distance) P-C4' energy: -69.110
flat angles C4'-P-C4' energy: -70.300
flat angles P-C4'-P energy: -42.968
tors. eta vs tors. theta energy: -75.187
Dist. restrs. and SS energy: 5.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -1032.100671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.100671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.894499 (E_RNA)
where:
Base-Base interactions energy: -715.786
where: short stacking energy: -297.906
Base-Backbone interact. energy: -1.966
local terms energy: -319.141986
where:
bonds (distance) C4'-P energy: -47.312
bonds (distance) P-C4' energy: -65.463
flat angles C4'-P-C4' energy: -74.136
flat angles P-C4'-P energy: -50.583
tors. eta vs tors. theta energy: -81.648
Dist. restrs. and SS energy: 4.794 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -948.929732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.929732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.975210 (E_RNA)
where:
Base-Base interactions energy: -660.125
where: short stacking energy: -266.125
Base-Backbone interact. energy: -1.017
local terms energy: -294.832821
where:
bonds (distance) C4'-P energy: -59.300
bonds (distance) P-C4' energy: -46.826
flat angles C4'-P-C4' energy: -71.512
flat angles P-C4'-P energy: -45.104
tors. eta vs tors. theta energy: -72.091
Dist. restrs. and SS energy: 7.045 (S_DIST_RNA)
chem. 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: -950.363595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.363595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.131647 (E_RNA)
where:
Base-Base interactions energy: -659.673
where: short stacking energy: -261.460
Base-Backbone interact. energy: -0.950
local terms energy: -295.509469
where:
bonds (distance) C4'-P energy: -60.718
bonds (distance) P-C4' energy: -57.925
flat angles C4'-P-C4' energy: -67.161
flat angles P-C4'-P energy: -43.880
tors. eta vs tors. theta energy: -65.825
Dist. restrs. and SS energy: 5.768 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -864.209700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.209700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.155531 (E_RNA)
where:
Base-Base interactions energy: -611.736
where: short stacking energy: -237.668
Base-Backbone interact. energy: 1.836
local terms energy: -267.255216
where:
bonds (distance) C4'-P energy: -49.437
bonds (distance) P-C4' energy: -53.443
flat angles C4'-P-C4' energy: -59.775
flat angles P-C4'-P energy: -44.424
tors. eta vs tors. theta energy: -60.176
Dist. restrs. and SS energy: 12.946 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -843.934828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.934828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.629848 (E_RNA)
where:
Base-Base interactions energy: -587.668
where: short stacking energy: -259.234
Base-Backbone interact. energy: -1.563
local terms energy: -265.398940
where:
bonds (distance) C4'-P energy: -54.534
bonds (distance) P-C4' energy: -49.778
flat angles C4'-P-C4' energy: -54.692
flat angles P-C4'-P energy: -33.896
tors. eta vs tors. theta energy: -72.498
Dist. restrs. and SS energy: 10.695 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -782.696494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.696494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.040371 (E_RNA)
where:
Base-Base interactions energy: -555.250
where: short stacking energy: -217.573
Base-Backbone interact. energy: -2.082
local terms energy: -235.708298
where:
bonds (distance) C4'-P energy: -52.286
bonds (distance) P-C4' energy: -55.537
flat angles C4'-P-C4' energy: -54.046
flat angles P-C4'-P energy: -26.318
tors. eta vs tors. theta energy: -47.521
Dist. restrs. and SS energy: 10.344 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -1224.113368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.113368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.266108 (E_RNA)
where:
Base-Base interactions energy: -857.414
where: short stacking energy: -355.418
Base-Backbone interact. energy: -1.005
local terms energy: -369.847293
where:
bonds (distance) C4'-P energy: -72.582
bonds (distance) P-C4' energy: -65.541
flat angles C4'-P-C4' energy: -75.485
flat angles P-C4'-P energy: -55.156
tors. eta vs tors. theta energy: -101.084
Dist. restrs. and SS energy: 4.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -1192.214721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.214721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.537462 (E_RNA)
where:
Base-Base interactions energy: -839.855
where: short stacking energy: -328.547
Base-Backbone interact. energy: -1.153
local terms energy: -354.529799
where:
bonds (distance) C4'-P energy: -59.756
bonds (distance) P-C4' energy: -61.334
flat angles C4'-P-C4' energy: -81.547
flat angles P-C4'-P energy: -59.502
tors. eta vs tors. theta energy: -92.391
Dist. restrs. and SS energy: 3.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -1117.937629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.937629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.863299 (E_RNA)
where:
Base-Base interactions energy: -774.348
where: short stacking energy: -311.507
Base-Backbone interact. energy: -2.499
local terms energy: -346.016009
where:
bonds (distance) C4'-P energy: -64.968
bonds (distance) P-C4' energy: -72.309
flat angles C4'-P-C4' energy: -68.253
flat angles P-C4'-P energy: -53.212
tors. eta vs tors. theta energy: -87.275
Dist. restrs. and SS energy: 4.926 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -1077.973665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.973665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.375970 (E_RNA)
where:
Base-Base interactions energy: -735.667
where: short stacking energy: -314.469
Base-Backbone interact. energy: -2.576
local terms energy: -344.132587
where:
bonds (distance) C4'-P energy: -64.552
bonds (distance) P-C4' energy: -64.235
flat angles C4'-P-C4' energy: -69.147
flat angles P-C4'-P energy: -55.105
tors. eta vs tors. theta energy: -91.093
Dist. restrs. and SS energy: 4.402 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -1005.088519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.088519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.707712 (E_RNA)
where:
Base-Base interactions energy: -676.994
where: short stacking energy: -267.918
Base-Backbone interact. energy: -2.083
local terms energy: -329.630634
where:
bonds (distance) C4'-P energy: -65.477
bonds (distance) P-C4' energy: -69.668
flat angles C4'-P-C4' energy: -75.557
flat angles P-C4'-P energy: -50.652
tors. eta vs tors. theta energy: -68.277
Dist. restrs. and SS energy: 3.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -919.860647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.860647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.127137 (E_RNA)
where:
Base-Base interactions energy: -648.345
where: short stacking energy: -254.355
Base-Backbone interact. energy: 0.507
local terms energy: -276.289821
where:
bonds (distance) C4'-P energy: -53.397
bonds (distance) P-C4' energy: -57.702
flat angles C4'-P-C4' energy: -67.433
flat angles P-C4'-P energy: -39.587
tors. eta vs tors. theta energy: -58.172
Dist. restrs. and SS energy: 4.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -970.378895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.378895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.861921 (E_RNA)
where:
Base-Base interactions energy: -689.947
where: short stacking energy: -271.492
Base-Backbone interact. energy: -2.132
local terms energy: -282.783674
where:
bonds (distance) C4'-P energy: -55.553
bonds (distance) P-C4' energy: -40.847
flat angles C4'-P-C4' energy: -71.075
flat angles P-C4'-P energy: -46.008
tors. eta vs tors. theta energy: -69.300
Dist. restrs. and SS energy: 4.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -930.353698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.353698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.735163 (E_RNA)
where:
Base-Base interactions energy: -671.571
where: short stacking energy: -263.252
Base-Backbone interact. energy: -1.219
local terms energy: -269.945078
where:
bonds (distance) C4'-P energy: -51.240
bonds (distance) P-C4' energy: -59.809
flat angles C4'-P-C4' energy: -59.109
flat angles P-C4'-P energy: -42.409
tors. eta vs tors. theta energy: -57.378
Dist. restrs. and SS energy: 12.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -831.660108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.660108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.829914 (E_RNA)
where:
Base-Base interactions energy: -580.334
where: short stacking energy: -220.392
Base-Backbone interact. energy: 0.149
local terms energy: -258.644313
where:
bonds (distance) C4'-P energy: -50.591
bonds (distance) P-C4' energy: -45.178
flat angles C4'-P-C4' energy: -67.642
flat angles P-C4'-P energy: -36.014
tors. eta vs tors. theta energy: -59.218
Dist. restrs. and SS energy: 7.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -828.997569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.997569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.139872 (E_RNA)
where:
Base-Base interactions energy: -580.256
where: short stacking energy: -234.760
Base-Backbone interact. energy: 0.491
local terms energy: -259.374847
where:
bonds (distance) C4'-P energy: -49.729
bonds (distance) P-C4' energy: -62.033
flat angles C4'-P-C4' energy: -51.257
flat angles P-C4'-P energy: -41.822
tors. eta vs tors. theta energy: -54.534
Dist. restrs. and SS energy: 10.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -1218.100707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.100707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.334261 (E_RNA)
where:
Base-Base interactions energy: -857.007
where: short stacking energy: -357.034
Base-Backbone interact. energy: 1.099
local terms energy: -365.425875
where:
bonds (distance) C4'-P energy: -58.095
bonds (distance) P-C4' energy: -70.783
flat angles C4'-P-C4' energy: -79.969
flat angles P-C4'-P energy: -50.874
tors. eta vs tors. theta energy: -105.705
Dist. restrs. and SS energy: 3.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -1191.878541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.878541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.790169 (E_RNA)
where:
Base-Base interactions energy: -838.956
where: short stacking energy: -313.520
Base-Backbone interact. energy: 1.822
local terms energy: -357.656261
where:
bonds (distance) C4'-P energy: -63.659
bonds (distance) P-C4' energy: -69.654
flat angles C4'-P-C4' energy: -74.753
flat angles P-C4'-P energy: -61.972
tors. eta vs tors. theta energy: -87.619
Dist. restrs. and SS energy: 2.912 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -1080.745330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.745330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.020692 (E_RNA)
where:
Base-Base interactions energy: -758.478
where: short stacking energy: -304.178
Base-Backbone interact. energy: -0.320
local terms energy: -325.222067
where:
bonds (distance) C4'-P energy: -64.054
bonds (distance) P-C4' energy: -69.322
flat angles C4'-P-C4' energy: -76.377
flat angles P-C4'-P energy: -33.947
tors. eta vs tors. theta energy: -81.522
Dist. restrs. and SS energy: 3.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -1095.240080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.240080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.539120 (E_RNA)
where:
Base-Base interactions energy: -752.315
where: short stacking energy: -315.129
Base-Backbone interact. energy: -2.859
local terms energy: -344.365437
where:
bonds (distance) C4'-P energy: -61.586
bonds (distance) P-C4' energy: -64.523
flat angles C4'-P-C4' energy: -76.981
flat angles P-C4'-P energy: -47.974
tors. eta vs tors. theta energy: -93.301
Dist. restrs. and SS energy: 4.299 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -1002.614081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.614081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.495928 (E_RNA)
where:
Base-Base interactions energy: -678.370
where: short stacking energy: -269.693
Base-Backbone interact. energy: 0.834
local terms energy: -327.960526
where:
bonds (distance) C4'-P energy: -60.212
bonds (distance) P-C4' energy: -68.235
flat angles C4'-P-C4' energy: -75.464
flat angles P-C4'-P energy: -48.644
tors. eta vs tors. theta energy: -75.404
Dist. restrs. and SS energy: 2.882 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -994.217279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.217279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.965329 (E_RNA)
where:
Base-Base interactions energy: -701.694
where: short stacking energy: -273.533
Base-Backbone interact. energy: -1.292
local terms energy: -294.978622
where:
bonds (distance) C4'-P energy: -58.689
bonds (distance) P-C4' energy: -58.047
flat angles C4'-P-C4' energy: -67.367
flat angles P-C4'-P energy: -43.854
tors. eta vs tors. theta energy: -67.021
Dist. restrs. and SS energy: 3.748 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -935.671712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.671712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.847162 (E_RNA)
where:
Base-Base interactions energy: -666.426
where: short stacking energy: -272.197
Base-Backbone interact. energy: -0.018
local terms energy: -273.403812
where:
bonds (distance) C4'-P energy: -44.105
bonds (distance) P-C4' energy: -65.795
flat angles C4'-P-C4' energy: -60.522
flat angles P-C4'-P energy: -32.597
tors. eta vs tors. theta energy: -70.385
Dist. restrs. and SS energy: 4.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -856.382366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.382366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.433186 (E_RNA)
where:
Base-Base interactions energy: -613.267
where: short stacking energy: -257.545
Base-Backbone interact. energy: -1.288
local terms energy: -255.878308
where:
bonds (distance) C4'-P energy: -51.771
bonds (distance) P-C4' energy: -49.545
flat angles C4'-P-C4' energy: -66.398
flat angles P-C4'-P energy: -24.369
tors. eta vs tors. theta energy: -63.795
Dist. restrs. and SS energy: 14.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -827.620994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.620994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.303091 (E_RNA)
where:
Base-Base interactions energy: -598.209
where: short stacking energy: -242.993
Base-Backbone interact. energy: 0.600
local terms energy: -247.693721
where:
bonds (distance) C4'-P energy: -51.665
bonds (distance) P-C4' energy: -51.540
flat angles C4'-P-C4' energy: -62.455
flat angles P-C4'-P energy: -25.327
tors. eta vs tors. theta energy: -56.706
Dist. restrs. and SS energy: 17.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -859.361904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.361904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.785906 (E_RNA)
where:
Base-Base interactions energy: -600.671
where: short stacking energy: -233.209
Base-Backbone interact. energy: -0.586
local terms energy: -262.528704
where:
bonds (distance) C4'-P energy: -38.718
bonds (distance) P-C4' energy: -59.866
flat angles C4'-P-C4' energy: -70.759
flat angles P-C4'-P energy: -40.269
tors. eta vs tors. theta energy: -52.918
Dist. restrs. and SS energy: 4.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -1214.248714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.248714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.097951 (E_RNA)
where:
Base-Base interactions energy: -844.050
where: short stacking energy: -344.507
Base-Backbone interact. energy: -0.372
local terms energy: -372.675764
where:
bonds (distance) C4'-P energy: -72.056
bonds (distance) P-C4' energy: -77.187
flat angles C4'-P-C4' energy: -75.557
flat angles P-C4'-P energy: -48.891
tors. eta vs tors. theta energy: -98.984
Dist. restrs. and SS energy: 2.849 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -1194.399966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.399966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.411306 (E_RNA)
where:
Base-Base interactions energy: -837.955
where: short stacking energy: -340.370
Base-Backbone interact. energy: -0.710
local terms energy: -361.746243
where:
bonds (distance) C4'-P energy: -68.311
bonds (distance) P-C4' energy: -66.732
flat angles C4'-P-C4' energy: -82.893
flat angles P-C4'-P energy: -44.389
tors. eta vs tors. theta energy: -99.420
Dist. restrs. and SS energy: 6.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -1089.287290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.287290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.976157 (E_RNA)
where:
Base-Base interactions energy: -756.026
where: short stacking energy: -323.761
Base-Backbone interact. energy: -1.127
local terms energy: -335.822844
where:
bonds (distance) C4'-P energy: -60.085
bonds (distance) P-C4' energy: -67.759
flat angles C4'-P-C4' energy: -79.416
flat angles P-C4'-P energy: -45.486
tors. eta vs tors. theta energy: -83.077
Dist. restrs. and SS energy: 3.689 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -1072.179457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.179457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.653433 (E_RNA)
where:
Base-Base interactions energy: -726.603
where: short stacking energy: -305.221
Base-Backbone interact. energy: -0.947
local terms energy: -348.103950
where:
bonds (distance) C4'-P energy: -63.584
bonds (distance) P-C4' energy: -70.769
flat angles C4'-P-C4' energy: -77.822
flat angles P-C4'-P energy: -51.657
tors. eta vs tors. theta energy: -84.272
Dist. restrs. and SS energy: 3.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -1028.642122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.642122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.738116 (E_RNA)
where:
Base-Base interactions energy: -707.004
where: short stacking energy: -282.657
Base-Backbone interact. energy: -3.142
local terms energy: -321.592065
where:
bonds (distance) C4'-P energy: -62.043
bonds (distance) P-C4' energy: -70.112
flat angles C4'-P-C4' energy: -68.618
flat angles P-C4'-P energy: -49.067
tors. eta vs tors. theta energy: -71.753
Dist. restrs. and SS energy: 3.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -937.016291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.016291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.597691 (E_RNA)
where:
Base-Base interactions energy: -656.717
where: short stacking energy: -258.075
Base-Backbone interact. energy: -1.102
local terms energy: -288.778244
where:
bonds (distance) C4'-P energy: -64.620
bonds (distance) P-C4' energy: -61.221
flat angles C4'-P-C4' energy: -72.759
flat angles P-C4'-P energy: -31.475
tors. eta vs tors. theta energy: -58.704
Dist. restrs. and SS energy: 9.581 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -930.779344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.779344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.067514 (E_RNA)
where:
Base-Base interactions energy: -646.072
where: short stacking energy: -263.247
Base-Backbone interact. energy: -1.033
local terms energy: -289.962711
where:
bonds (distance) C4'-P energy: -65.609
bonds (distance) P-C4' energy: -58.657
flat angles C4'-P-C4' energy: -66.147
flat angles P-C4'-P energy: -39.215
tors. eta vs tors. theta energy: -60.335
Dist. restrs. and SS energy: 6.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -856.540399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.540399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.730855 (E_RNA)
where:
Base-Base interactions energy: -634.126
where: short stacking energy: -241.888
Base-Backbone interact. energy: 0.325
local terms energy: -232.929711
where:
bonds (distance) C4'-P energy: -42.604
bonds (distance) P-C4' energy: -51.890
flat angles C4'-P-C4' energy: -52.972
flat angles P-C4'-P energy: -30.752
tors. eta vs tors. theta energy: -54.713
Dist. restrs. and SS energy: 10.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -838.564629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.564629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.658021 (E_RNA)
where:
Base-Base interactions energy: -572.682
where: short stacking energy: -217.904
Base-Backbone interact. energy: -1.868
local terms energy: -276.108218
where:
bonds (distance) C4'-P energy: -56.981
bonds (distance) P-C4' energy: -64.535
flat angles C4'-P-C4' energy: -55.467
flat angles P-C4'-P energy: -45.423
tors. eta vs tors. theta energy: -53.702
Dist. restrs. and SS energy: 12.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -824.238937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.238937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.074652 (E_RNA)
where:
Base-Base interactions energy: -562.004
where: short stacking energy: -215.550
Base-Backbone interact. energy: -3.482
local terms energy: -263.588012
where:
bonds (distance) C4'-P energy: -59.092
bonds (distance) P-C4' energy: -58.222
flat angles C4'-P-C4' energy: -55.152
flat angles P-C4'-P energy: -38.596
tors. eta vs tors. theta energy: -52.526
Dist. restrs. and SS energy: 4.836 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -1253.966628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.966628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.358964 (E_RNA)
where:
Base-Base interactions energy: -877.286
where: short stacking energy: -356.892
Base-Backbone interact. energy: -0.399
local terms energy: -379.673771
where:
bonds (distance) C4'-P energy: -69.171
bonds (distance) P-C4' energy: -72.590
flat angles C4'-P-C4' energy: -80.835
flat angles P-C4'-P energy: -57.795
tors. eta vs tors. theta energy: -99.283
Dist. restrs. and SS energy: 3.392 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -1219.552332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.552332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.137563 (E_RNA)
where:
Base-Base interactions energy: -863.657
where: short stacking energy: -362.099
Base-Backbone interact. energy: -0.111
local terms energy: -359.369730
where:
bonds (distance) C4'-P energy: -68.076
bonds (distance) P-C4' energy: -56.335
flat angles C4'-P-C4' energy: -81.494
flat angles P-C4'-P energy: -48.455
tors. eta vs tors. theta energy: -105.010
Dist. restrs. and SS energy: 3.585 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -1088.907715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.907715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.424663 (E_RNA)
where:
Base-Base interactions energy: -760.023
where: short stacking energy: -306.474
Base-Backbone interact. energy: -2.278
local terms energy: -330.123708
where:
bonds (distance) C4'-P energy: -65.214
bonds (distance) P-C4' energy: -67.680
flat angles C4'-P-C4' energy: -64.043
flat angles P-C4'-P energy: -46.476
tors. eta vs tors. theta energy: -86.712
Dist. restrs. and SS energy: 3.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -1052.677979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.677979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.331917 (E_RNA)
where:
Base-Base interactions energy: -754.778
where: short stacking energy: -308.091
Base-Backbone interact. energy: -1.629
local terms energy: -300.925769
where:
bonds (distance) C4'-P energy: -56.540
bonds (distance) P-C4' energy: -48.031
flat angles C4'-P-C4' energy: -73.029
flat angles P-C4'-P energy: -46.133
tors. eta vs tors. theta energy: -77.193
Dist. restrs. and SS energy: 4.654 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -1005.130151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.130151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.622316 (E_RNA)
where:
Base-Base interactions energy: -695.786
where: short stacking energy: -271.135
Base-Backbone interact. energy: -0.681
local terms energy: -312.155585
where:
bonds (distance) C4'-P energy: -57.289
bonds (distance) P-C4' energy: -70.145
flat angles C4'-P-C4' energy: -69.248
flat angles P-C4'-P energy: -39.669
tors. eta vs tors. theta energy: -75.804
Dist. restrs. and SS energy: 3.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -944.825703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.825703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.463264 (E_RNA)
where:
Base-Base interactions energy: -660.112
where: short stacking energy: -281.615
Base-Backbone interact. energy: -1.127
local terms energy: -289.224854
where:
bonds (distance) C4'-P energy: -59.654
bonds (distance) P-C4' energy: -55.400
flat angles C4'-P-C4' energy: -68.649
flat angles P-C4'-P energy: -35.817
tors. eta vs tors. theta energy: -69.705
Dist. restrs. and SS energy: 5.638 (S_DIST_RNA)
chem. 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: -944.003289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.003289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.373630 (E_RNA)
where:
Base-Base interactions energy: -661.218
where: short stacking energy: -256.547
Base-Backbone interact. energy: -0.907
local terms energy: -287.249055
where:
bonds (distance) C4'-P energy: -59.424
bonds (distance) P-C4' energy: -60.720
flat angles C4'-P-C4' energy: -66.196
flat angles P-C4'-P energy: -39.624
tors. eta vs tors. theta energy: -61.285
Dist. restrs. and SS energy: 5.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -887.529513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.529513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.276964 (E_RNA)
where:
Base-Base interactions energy: -621.223
where: short stacking energy: -242.099
Base-Backbone interact. energy: 1.379
local terms energy: -278.432777
where:
bonds (distance) C4'-P energy: -56.975
bonds (distance) P-C4' energy: -57.830
flat angles C4'-P-C4' energy: -57.473
flat angles P-C4'-P energy: -36.121
tors. eta vs tors. theta energy: -70.033
Dist. restrs. and SS energy: 10.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -858.460054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.460054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.195553 (E_RNA)
where:
Base-Base interactions energy: -580.483
where: short stacking energy: -229.159
Base-Backbone interact. energy: -2.073
local terms energy: -282.639274
where:
bonds (distance) C4'-P energy: -60.822
bonds (distance) P-C4' energy: -64.717
flat angles C4'-P-C4' energy: -68.489
flat angles P-C4'-P energy: -43.987
tors. eta vs tors. theta energy: -44.624
Dist. restrs. and SS energy: 6.735 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -779.826778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.826778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.033118 (E_RNA)
where:
Base-Base interactions energy: -546.359
where: short stacking energy: -213.552
Base-Backbone interact. energy: 0.359
local terms energy: -241.032962
where:
bonds (distance) C4'-P energy: -59.223
bonds (distance) P-C4' energy: -56.861
flat angles C4'-P-C4' energy: -52.448
flat angles P-C4'-P energy: -25.524
tors. eta vs tors. theta energy: -46.977
Dist. restrs. and SS energy: 7.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -1257.150223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.150223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.872394 (E_RNA)
where:
Base-Base interactions energy: -884.093
where: short stacking energy: -352.685
Base-Backbone interact. energy: -0.664
local terms energy: -375.115360
where:
bonds (distance) C4'-P energy: -67.583
bonds (distance) P-C4' energy: -71.047
flat angles C4'-P-C4' energy: -78.298
flat angles P-C4'-P energy: -56.343
tors. eta vs tors. theta energy: -101.844
Dist. restrs. and SS energy: 2.722 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -1205.945693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.945693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.881566 (E_RNA)
where:
Base-Base interactions energy: -841.143
where: short stacking energy: -338.343
Base-Backbone interact. energy: 0.421
local terms energy: -368.159176
where:
bonds (distance) C4'-P energy: -67.958
bonds (distance) P-C4' energy: -66.387
flat angles C4'-P-C4' energy: -74.717
flat angles P-C4'-P energy: -55.923
tors. eta vs tors. theta energy: -103.174
Dist. restrs. and SS energy: 2.936 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -1104.457973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.457973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.053275 (E_RNA)
where:
Base-Base interactions energy: -774.865
where: short stacking energy: -303.992
Base-Backbone interact. energy: -2.310
local terms energy: -329.878752
where:
bonds (distance) C4'-P energy: -62.777
bonds (distance) P-C4' energy: -61.350
flat angles C4'-P-C4' energy: -69.345
flat angles P-C4'-P energy: -48.119
tors. eta vs tors. theta energy: -88.289
Dist. restrs. and SS energy: 2.595 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -1051.235843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.235843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.992959 (E_RNA)
where:
Base-Base interactions energy: -742.556
where: short stacking energy: -293.295
Base-Backbone interact. energy: -2.287
local terms energy: -310.149655
where:
bonds (distance) C4'-P energy: -59.812
bonds (distance) P-C4' energy: -66.599
flat angles C4'-P-C4' energy: -64.420
flat angles P-C4'-P energy: -42.268
tors. eta vs tors. theta energy: -77.051
Dist. restrs. and SS energy: 3.757 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -1056.910052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.910052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.369255 (E_RNA)
where:
Base-Base interactions energy: -733.838
where: short stacking energy: -296.110
Base-Backbone interact. energy: -0.767
local terms energy: -328.764142
where:
bonds (distance) C4'-P energy: -59.191
bonds (distance) P-C4' energy: -64.408
flat angles C4'-P-C4' energy: -66.038
flat angles P-C4'-P energy: -51.724
tors. eta vs tors. theta energy: -87.404
Dist. restrs. and SS energy: 6.459 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -943.154684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.154684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.035171 (E_RNA)
where:
Base-Base interactions energy: -656.471
where: short stacking energy: -268.139
Base-Backbone interact. energy: -2.225
local terms energy: -288.338899
where:
bonds (distance) C4'-P energy: -58.661
bonds (distance) P-C4' energy: -62.097
flat angles C4'-P-C4' energy: -60.592
flat angles P-C4'-P energy: -47.002
tors. eta vs tors. theta energy: -59.987
Dist. restrs. and SS energy: 3.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -946.142754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.142754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.414496 (E_RNA)
where:
Base-Base interactions energy: -664.746
where: short stacking energy: -272.680
Base-Backbone interact. energy: -0.569
local terms energy: -285.099304
where:
bonds (distance) C4'-P energy: -57.031
bonds (distance) P-C4' energy: -58.125
flat angles C4'-P-C4' energy: -66.264
flat angles P-C4'-P energy: -37.304
tors. eta vs tors. theta energy: -66.375
Dist. restrs. and SS energy: 4.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -878.307636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.307636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.633964 (E_RNA)
where:
Base-Base interactions energy: -611.468
where: short stacking energy: -235.829
Base-Backbone interact. energy: -0.069
local terms energy: -274.097664
where:
bonds (distance) C4'-P energy: -45.914
bonds (distance) P-C4' energy: -60.024
flat angles C4'-P-C4' energy: -64.046
flat angles P-C4'-P energy: -43.206
tors. eta vs tors. theta energy: -60.908
Dist. restrs. and SS energy: 7.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -839.752476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.752476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.657522 (E_RNA)
where:
Base-Base interactions energy: -607.840
where: short stacking energy: -233.666
Base-Backbone interact. energy: -0.131
local terms energy: -240.686086
where:
bonds (distance) C4'-P energy: -56.824
bonds (distance) P-C4' energy: -53.461
flat angles C4'-P-C4' energy: -60.596
flat angles P-C4'-P energy: -27.950
tors. eta vs tors. theta energy: -41.855
Dist. restrs. and SS energy: 8.905 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -770.321453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.321453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.777767 (E_RNA)
where:
Base-Base interactions energy: -527.857
where: short stacking energy: -220.022
Base-Backbone interact. energy: -0.953
local terms energy: -253.967529
where:
bonds (distance) C4'-P energy: -70.033
bonds (distance) P-C4' energy: -53.556
flat angles C4'-P-C4' energy: -50.967
flat angles P-C4'-P energy: -33.773
tors. eta vs tors. theta energy: -45.639
Dist. restrs. and SS energy: 12.456 (S_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: 480
Temperature: 0.900000
Total energy: -1228.772841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.772841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.630108 (E_RNA)
where:
Base-Base interactions energy: -871.771
where: short stacking energy: -345.474
Base-Backbone interact. energy: -1.934
local terms energy: -357.925417
where:
bonds (distance) C4'-P energy: -60.544
bonds (distance) P-C4' energy: -68.825
flat angles C4'-P-C4' energy: -76.690
flat angles P-C4'-P energy: -55.441
tors. eta vs tors. theta energy: -96.426
Dist. restrs. and SS energy: 2.857 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -1183.781318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.781318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.220342 (E_RNA)
where:
Base-Base interactions energy: -844.000
where: short stacking energy: -348.128
Base-Backbone interact. energy: -2.812
local terms energy: -339.408381
where:
bonds (distance) C4'-P energy: -56.669
bonds (distance) P-C4' energy: -63.948
flat angles C4'-P-C4' energy: -81.154
flat angles P-C4'-P energy: -45.040
tors. eta vs tors. theta energy: -92.598
Dist. restrs. and SS energy: 2.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -1131.764913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.764913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.692018 (E_RNA)
where:
Base-Base interactions energy: -790.138
where: short stacking energy: -314.103
Base-Backbone interact. energy: -1.732
local terms energy: -342.821615
where:
bonds (distance) C4'-P energy: -73.020
bonds (distance) P-C4' energy: -61.151
flat angles C4'-P-C4' energy: -64.539
flat angles P-C4'-P energy: -48.852
tors. eta vs tors. theta energy: -95.259
Dist. restrs. and SS energy: 2.927 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -1034.139114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.139114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.845916 (E_RNA)
where:
Base-Base interactions energy: -720.834
where: short stacking energy: -306.028
Base-Backbone interact. energy: -0.377
local terms energy: -316.634968
where:
bonds (distance) C4'-P energy: -54.084
bonds (distance) P-C4' energy: -64.733
flat angles C4'-P-C4' energy: -71.135
flat angles P-C4'-P energy: -53.064
tors. eta vs tors. theta energy: -73.619
Dist. restrs. and SS energy: 3.707 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -1045.731702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.731702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.661824 (E_RNA)
where:
Base-Base interactions energy: -727.228
where: short stacking energy: -302.443
Base-Backbone interact. energy: -1.472
local terms energy: -320.961929
where:
bonds (distance) C4'-P energy: -52.007
bonds (distance) P-C4' energy: -62.599
flat angles C4'-P-C4' energy: -68.858
flat angles P-C4'-P energy: -48.078
tors. eta vs tors. theta energy: -89.419
Dist. restrs. and SS energy: 3.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -974.411090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.411090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.685453 (E_RNA)
where:
Base-Base interactions energy: -689.921
where: short stacking energy: -300.253
Base-Backbone interact. energy: -0.398
local terms energy: -289.366300
where:
bonds (distance) C4'-P energy: -44.545
bonds (distance) P-C4' energy: -58.881
flat angles C4'-P-C4' energy: -63.904
flat angles P-C4'-P energy: -50.998
tors. eta vs tors. theta energy: -71.039
Dist. restrs. and SS energy: 5.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -932.808309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.808309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.900403 (E_RNA)
where:
Base-Base interactions energy: -627.600
where: short stacking energy: -259.042
Base-Backbone interact. energy: 1.959
local terms energy: -311.259182
where:
bonds (distance) C4'-P energy: -66.162
bonds (distance) P-C4' energy: -66.592
flat angles C4'-P-C4' energy: -67.700
flat angles P-C4'-P energy: -42.154
tors. eta vs tors. theta energy: -68.651
Dist. restrs. and SS energy: 4.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -878.197352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.197352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.151803 (E_RNA)
where:
Base-Base interactions energy: -611.802
where: short stacking energy: -242.893
Base-Backbone interact. energy: -1.778
local terms energy: -280.571781
where:
bonds (distance) C4'-P energy: -55.618
bonds (distance) P-C4' energy: -51.265
flat angles C4'-P-C4' energy: -58.514
flat angles P-C4'-P energy: -48.370
tors. eta vs tors. theta energy: -66.805
Dist. restrs. and SS energy: 15.954 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -848.849996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.849996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.056252 (E_RNA)
where:
Base-Base interactions energy: -607.268
where: short stacking energy: -232.797
Base-Backbone interact. energy: -0.153
local terms energy: -253.635293
where:
bonds (distance) C4'-P energy: -53.149
bonds (distance) P-C4' energy: -61.291
flat angles C4'-P-C4' energy: -43.143
flat angles P-C4'-P energy: -38.477
tors. eta vs tors. theta energy: -57.575
Dist. restrs. and SS energy: 12.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -768.447396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.447396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.921797 (E_RNA)
where:
Base-Base interactions energy: -533.838
where: short stacking energy: -223.173
Base-Backbone interact. energy: 1.156
local terms energy: -254.239173
where:
bonds (distance) C4'-P energy: -52.619
bonds (distance) P-C4' energy: -67.763
flat angles C4'-P-C4' energy: -53.251
flat angles P-C4'-P energy: -27.861
tors. eta vs tors. theta energy: -52.745
Dist. restrs. and SS energy: 18.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -1241.793486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.793486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.542916 (E_RNA)
where:
Base-Base interactions energy: -857.289
where: short stacking energy: -359.652
Base-Backbone interact. energy: -3.085
local terms energy: -385.169265
where:
bonds (distance) C4'-P energy: -67.201
bonds (distance) P-C4' energy: -70.146
flat angles C4'-P-C4' energy: -88.684
flat angles P-C4'-P energy: -55.429
tors. eta vs tors. theta energy: -103.710
Dist. restrs. and SS energy: 3.749 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -1179.751923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.751923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.767092 (E_RNA)
where:
Base-Base interactions energy: -831.833
where: short stacking energy: -344.386
Base-Backbone interact. energy: -1.297
local terms energy: -349.636990
where:
bonds (distance) C4'-P energy: -63.975
bonds (distance) P-C4' energy: -60.077
flat angles C4'-P-C4' energy: -72.096
flat angles P-C4'-P energy: -55.609
tors. eta vs tors. theta energy: -97.880
Dist. restrs. and SS energy: 3.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -1131.659607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.659607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.983658 (E_RNA)
where:
Base-Base interactions energy: -799.088
where: short stacking energy: -314.868
Base-Backbone interact. energy: -3.960
local terms energy: -331.935560
where:
bonds (distance) C4'-P energy: -53.173
bonds (distance) P-C4' energy: -66.326
flat angles C4'-P-C4' energy: -68.697
flat angles P-C4'-P energy: -46.017
tors. eta vs tors. theta energy: -97.723
Dist. restrs. and SS energy: 3.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -1040.254559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.254559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.348545 (E_RNA)
where:
Base-Base interactions energy: -723.313
where: short stacking energy: -303.456
Base-Backbone interact. energy: -0.102
local terms energy: -319.933668
where:
bonds (distance) C4'-P energy: -51.154
bonds (distance) P-C4' energy: -63.743
flat angles C4'-P-C4' energy: -72.997
flat angles P-C4'-P energy: -52.761
tors. eta vs tors. theta energy: -79.279
Dist. restrs. and SS energy: 3.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -1061.265787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.265787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.142107 (E_RNA)
where:
Base-Base interactions energy: -747.539
where: short stacking energy: -310.355
Base-Backbone interact. energy: -1.505
local terms energy: -318.098236
where:
bonds (distance) C4'-P energy: -53.099
bonds (distance) P-C4' energy: -54.071
flat angles C4'-P-C4' energy: -73.870
flat angles P-C4'-P energy: -50.832
tors. eta vs tors. theta energy: -86.227
Dist. restrs. and SS energy: 5.876 (S_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: 481
Temperature: 1.150000
Total energy: -949.313233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.313233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.235227 (E_RNA)
where:
Base-Base interactions energy: -663.767
where: short stacking energy: -256.841
Base-Backbone interact. energy: -1.960
local terms energy: -289.508402
where:
bonds (distance) C4'-P energy: -61.814
bonds (distance) P-C4' energy: -58.021
flat angles C4'-P-C4' energy: -64.557
flat angles P-C4'-P energy: -40.849
tors. eta vs tors. theta energy: -64.267
Dist. restrs. and SS energy: 5.922 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -956.638382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.638382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.671163 (E_RNA)
where:
Base-Base interactions energy: -659.044
where: short stacking energy: -252.709
Base-Backbone interact. energy: -1.220
local terms energy: -300.407922
where:
bonds (distance) C4'-P energy: -55.797
bonds (distance) P-C4' energy: -64.819
flat angles C4'-P-C4' energy: -60.145
flat angles P-C4'-P energy: -44.544
tors. eta vs tors. theta energy: -75.103
Dist. restrs. and SS energy: 4.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -870.345017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.345017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.345508 (E_RNA)
where:
Base-Base interactions energy: -589.070
where: short stacking energy: -243.087
Base-Backbone interact. energy: -1.989
local terms energy: -288.286320
where:
bonds (distance) C4'-P energy: -58.090
bonds (distance) P-C4' energy: -59.828
flat angles C4'-P-C4' energy: -73.251
flat angles P-C4'-P energy: -37.505
tors. eta vs tors. theta energy: -59.611
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: 9, replica: 2
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -860.385650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.385650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.608364 (E_RNA)
where:
Base-Base interactions energy: -608.206
where: short stacking energy: -247.473
Base-Backbone interact. energy: -1.666
local terms energy: -258.736628
where:
bonds (distance) C4'-P energy: -63.179
bonds (distance) P-C4' energy: -52.583
flat angles C4'-P-C4' energy: -51.414
flat angles P-C4'-P energy: -34.617
tors. eta vs tors. theta energy: -56.943
Dist. restrs. and SS energy: 8.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -765.429292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.429292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.571106 (E_RNA)
where:
Base-Base interactions energy: -550.400
where: short stacking energy: -213.350
Base-Backbone interact. energy: 0.675
local terms energy: -229.845635
where:
bonds (distance) C4'-P energy: -40.777
bonds (distance) P-C4' energy: -51.937
flat angles C4'-P-C4' energy: -58.026
flat angles P-C4'-P energy: -25.221
tors. eta vs tors. theta energy: -53.885
Dist. restrs. and SS energy: 14.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -1242.297174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.297174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.971140 (E_RNA)
where:
Base-Base interactions energy: -875.628
where: short stacking energy: -347.114
Base-Backbone interact. energy: -1.403
local terms energy: -367.940920
where:
bonds (distance) C4'-P energy: -71.322
bonds (distance) P-C4' energy: -67.724
flat angles C4'-P-C4' energy: -79.262
flat angles P-C4'-P energy: -54.946
tors. eta vs tors. theta energy: -94.687
Dist. restrs. and SS energy: 2.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -1173.809597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.809597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.358447 (E_RNA)
where:
Base-Base interactions energy: -830.840
where: short stacking energy: -317.667
Base-Backbone interact. energy: -1.546
local terms energy: -345.972573
where:
bonds (distance) C4'-P energy: -64.599
bonds (distance) P-C4' energy: -74.161
flat angles C4'-P-C4' energy: -72.903
flat angles P-C4'-P energy: -44.662
tors. eta vs tors. theta energy: -89.648
Dist. restrs. and SS energy: 4.549 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -1122.163968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.163968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.880118 (E_RNA)
where:
Base-Base interactions energy: -775.364
where: short stacking energy: -310.526
Base-Backbone interact. energy: -0.919
local terms energy: -348.597403
where:
bonds (distance) C4'-P energy: -69.640
bonds (distance) P-C4' energy: -61.120
flat angles C4'-P-C4' energy: -70.335
flat angles P-C4'-P energy: -56.062
tors. eta vs tors. theta energy: -91.441
Dist. restrs. and SS energy: 2.716 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -1032.000332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.000332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.154495 (E_RNA)
where:
Base-Base interactions energy: -728.228
where: short stacking energy: -282.041
Base-Backbone interact. energy: -1.606
local terms energy: -305.320462
where:
bonds (distance) C4'-P energy: -55.579
bonds (distance) P-C4' energy: -52.935
flat angles C4'-P-C4' energy: -70.202
flat angles P-C4'-P energy: -54.910
tors. eta vs tors. theta energy: -71.695
Dist. restrs. and SS energy: 3.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -1066.014861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.014861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.793017 (E_RNA)
where:
Base-Base interactions energy: -760.423
where: short stacking energy: -300.509
Base-Backbone interact. energy: -2.409
local terms energy: -307.960187
where:
bonds (distance) C4'-P energy: -56.159
bonds (distance) P-C4' energy: -58.572
flat angles C4'-P-C4' energy: -60.056
flat angles P-C4'-P energy: -53.277
tors. eta vs tors. theta energy: -79.896
Dist. restrs. and SS energy: 4.778 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -961.633842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.633842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.453323 (E_RNA)
where:
Base-Base interactions energy: -663.858
where: short stacking energy: -264.491
Base-Backbone interact. energy: 0.433
local terms energy: -302.027818
where:
bonds (distance) C4'-P energy: -62.085
bonds (distance) P-C4' energy: -69.409
flat angles C4'-P-C4' energy: -66.016
flat angles P-C4'-P energy: -29.459
tors. eta vs tors. theta energy: -75.059
Dist. restrs. and SS energy: 3.819 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -943.895773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.895773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.150863 (E_RNA)
where:
Base-Base interactions energy: -655.664
where: short stacking energy: -274.572
Base-Backbone interact. energy: -0.060
local terms energy: -294.426363
where:
bonds (distance) C4'-P energy: -45.208
bonds (distance) P-C4' energy: -64.399
flat angles C4'-P-C4' energy: -73.637
flat angles P-C4'-P energy: -41.131
tors. eta vs tors. theta energy: -70.051
Dist. restrs. and SS energy: 6.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -836.673947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.673947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.547350 (E_RNA)
where:
Base-Base interactions energy: -588.162
where: short stacking energy: -213.566
Base-Backbone interact. energy: -1.885
local terms energy: -256.500375
where:
bonds (distance) C4'-P energy: -61.545
bonds (distance) P-C4' energy: -56.977
flat angles C4'-P-C4' energy: -60.331
flat angles P-C4'-P energy: -30.554
tors. eta vs tors. theta energy: -47.093
Dist. restrs. and SS energy: 9.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -864.214326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.214326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.534938 (E_RNA)
where:
Base-Base interactions energy: -599.651
where: short stacking energy: -240.685
Base-Backbone interact. energy: 1.626
local terms energy: -269.509715
where:
bonds (distance) C4'-P energy: -62.740
bonds (distance) P-C4' energy: -66.333
flat angles C4'-P-C4' energy: -59.420
flat angles P-C4'-P energy: -18.628
tors. eta vs tors. theta energy: -62.389
Dist. restrs. and SS energy: 3.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -754.965346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.965346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.247246 (E_RNA)
where:
Base-Base interactions energy: -517.837
where: short stacking energy: -209.130
Base-Backbone interact. energy: -1.817
local terms energy: -250.592707
where:
bonds (distance) C4'-P energy: -49.309
bonds (distance) P-C4' energy: -59.102
flat angles C4'-P-C4' energy: -61.969
flat angles P-C4'-P energy: -37.280
tors. eta vs tors. theta energy: -42.933
Dist. restrs. and SS energy: 15.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -1255.692467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.692467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.463789 (E_RNA)
where:
Base-Base interactions energy: -881.855
where: short stacking energy: -366.988
Base-Backbone interact. energy: -0.818
local terms energy: -375.790877
where:
bonds (distance) C4'-P energy: -73.595
bonds (distance) P-C4' energy: -69.440
flat angles C4'-P-C4' energy: -80.334
flat angles P-C4'-P energy: -56.163
tors. eta vs tors. theta energy: -96.260
Dist. restrs. and SS energy: 2.771 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -1180.533409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.533409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.697107 (E_RNA)
where:
Base-Base interactions energy: -827.508
where: short stacking energy: -329.410
Base-Backbone interact. energy: 0.704
local terms energy: -356.893011
where:
bonds (distance) C4'-P energy: -69.523
bonds (distance) P-C4' energy: -64.869
flat angles C4'-P-C4' energy: -75.935
flat angles P-C4'-P energy: -56.805
tors. eta vs tors. theta energy: -89.760
Dist. restrs. and SS energy: 3.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -1134.211649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.211649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.419437 (E_RNA)
where:
Base-Base interactions energy: -794.281
where: short stacking energy: -322.897
Base-Backbone interact. energy: -0.688
local terms energy: -342.450424
where:
bonds (distance) C4'-P energy: -65.095
bonds (distance) P-C4' energy: -65.582
flat angles C4'-P-C4' energy: -72.725
flat angles P-C4'-P energy: -47.837
tors. eta vs tors. theta energy: -91.211
Dist. restrs. and SS energy: 3.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -1088.913504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.913504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.554209 (E_RNA)
where:
Base-Base interactions energy: -774.668
where: short stacking energy: -302.025
Base-Backbone interact. energy: -2.803
local terms energy: -315.083497
where:
bonds (distance) C4'-P energy: -65.977
bonds (distance) P-C4' energy: -49.655
flat angles C4'-P-C4' energy: -68.009
flat angles P-C4'-P energy: -46.770
tors. eta vs tors. theta energy: -84.673
Dist. restrs. and SS energy: 3.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -993.706368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.706368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.387864 (E_RNA)
where:
Base-Base interactions energy: -696.123
where: short stacking energy: -282.001
Base-Backbone interact. energy: -1.317
local terms energy: -301.948426
where:
bonds (distance) C4'-P energy: -54.456
bonds (distance) P-C4' energy: -69.633
flat angles C4'-P-C4' energy: -68.110
flat angles P-C4'-P energy: -44.374
tors. eta vs tors. theta energy: -65.375
Dist. restrs. and SS energy: 5.681 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -950.704588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.704588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.514919 (E_RNA)
where:
Base-Base interactions energy: -663.667
where: short stacking energy: -248.506
Base-Backbone interact. energy: -0.925
local terms energy: -292.922500
where:
bonds (distance) C4'-P energy: -45.681
bonds (distance) P-C4' energy: -64.722
flat angles C4'-P-C4' energy: -66.812
flat angles P-C4'-P energy: -43.207
tors. eta vs tors. theta energy: -72.500
Dist. restrs. and SS energy: 6.810 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -943.068182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.068182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.568513 (E_RNA)
where:
Base-Base interactions energy: -659.825
where: short stacking energy: -262.895
Base-Backbone interact. energy: 2.820
local terms energy: -289.564020
where:
bonds (distance) C4'-P energy: -58.691
bonds (distance) P-C4' energy: -49.396
flat angles C4'-P-C4' energy: -68.711
flat angles P-C4'-P energy: -42.921
tors. eta vs tors. theta energy: -69.846
Dist. restrs. and SS energy: 3.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -930.756159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.756159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.371391 (E_RNA)
where:
Base-Base interactions energy: -655.379
where: short stacking energy: -263.725
Base-Backbone interact. energy: -1.909
local terms energy: -286.084293
where:
bonds (distance) C4'-P energy: -49.193
bonds (distance) P-C4' energy: -56.734
flat angles C4'-P-C4' energy: -64.579
flat angles P-C4'-P energy: -48.111
tors. eta vs tors. theta energy: -67.467
Dist. restrs. and SS energy: 12.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -890.589427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.589427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.680398 (E_RNA)
where:
Base-Base interactions energy: -622.107
where: short stacking energy: -261.398
Base-Backbone interact. energy: 4.606
local terms energy: -278.179061
where:
bonds (distance) C4'-P energy: -54.222
bonds (distance) P-C4' energy: -63.681
flat angles C4'-P-C4' energy: -53.191
flat angles P-C4'-P energy: -39.778
tors. eta vs tors. theta energy: -67.307
Dist. restrs. and SS energy: 5.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -774.744521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.744521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.877192 (E_RNA)
where:
Base-Base interactions energy: -538.592
where: short stacking energy: -215.108
Base-Backbone interact. energy: 0.669
local terms energy: -249.954186
where:
bonds (distance) C4'-P energy: -58.227
bonds (distance) P-C4' energy: -59.893
flat angles C4'-P-C4' energy: -50.272
flat angles P-C4'-P energy: -34.802
tors. eta vs tors. theta energy: -46.760
Dist. restrs. and SS energy: 13.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -1233.712621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.712621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.737544 (E_RNA)
where:
Base-Base interactions energy: -860.975
where: short stacking energy: -348.104
Base-Backbone interact. energy: -2.357
local terms energy: -373.405599
where:
bonds (distance) C4'-P energy: -73.417
bonds (distance) P-C4' energy: -77.765
flat angles C4'-P-C4' energy: -73.851
flat angles P-C4'-P energy: -43.081
tors. eta vs tors. theta energy: -105.291
Dist. restrs. and SS energy: 3.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -1190.003776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.003776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.968468 (E_RNA)
where:
Base-Base interactions energy: -825.452
where: short stacking energy: -334.292
Base-Backbone interact. energy: -0.877
local terms energy: -366.639887
where:
bonds (distance) C4'-P energy: -69.708
bonds (distance) P-C4' energy: -69.717
flat angles C4'-P-C4' energy: -79.765
flat angles P-C4'-P energy: -55.753
tors. eta vs tors. theta energy: -91.697
Dist. restrs. and SS energy: 2.965 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -1130.917473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.917473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.819161 (E_RNA)
where:
Base-Base interactions energy: -792.042
where: short stacking energy: -292.274
Base-Backbone interact. energy: -2.458
local terms energy: -340.319366
where:
bonds (distance) C4'-P energy: -73.070
bonds (distance) P-C4' energy: -69.136
flat angles C4'-P-C4' energy: -75.465
flat angles P-C4'-P energy: -47.787
tors. eta vs tors. theta energy: -74.862
Dist. restrs. and SS energy: 3.902 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -1098.452601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.452601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.127578 (E_RNA)
where:
Base-Base interactions energy: -760.150
where: short stacking energy: -322.398
Base-Backbone interact. energy: -0.763
local terms energy: -340.214661
where:
bonds (distance) C4'-P energy: -63.207
bonds (distance) P-C4' energy: -61.904
flat angles C4'-P-C4' energy: -70.840
flat angles P-C4'-P energy: -57.069
tors. eta vs tors. theta energy: -87.195
Dist. restrs. and SS energy: 2.675 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -976.734693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.734693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.724956 (E_RNA)
where:
Base-Base interactions energy: -679.223
where: short stacking energy: -275.372
Base-Backbone interact. energy: -1.700
local terms energy: -302.801596
where:
bonds (distance) C4'-P energy: -58.979
bonds (distance) P-C4' energy: -61.777
flat angles C4'-P-C4' energy: -64.558
flat angles P-C4'-P energy: -45.512
tors. eta vs tors. theta energy: -71.975
Dist. restrs. and SS energy: 6.990 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -979.508017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.508017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.584502 (E_RNA)
where:
Base-Base interactions energy: -670.994
where: short stacking energy: -268.986
Base-Backbone interact. energy: -1.047
local terms energy: -310.543556
where:
bonds (distance) C4'-P energy: -58.381
bonds (distance) P-C4' energy: -61.426
flat angles C4'-P-C4' energy: -64.084
flat angles P-C4'-P energy: -57.568
tors. eta vs tors. theta energy: -69.085
Dist. restrs. and SS energy: 3.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -928.147417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.147417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.025630 (E_RNA)
where:
Base-Base interactions energy: -647.015
where: short stacking energy: -256.956
Base-Backbone interact. energy: -2.685
local terms energy: -291.325935
where:
bonds (distance) C4'-P energy: -60.932
bonds (distance) P-C4' energy: -60.366
flat angles C4'-P-C4' energy: -63.276
flat angles P-C4'-P energy: -46.321
tors. eta vs tors. theta energy: -60.430
Dist. restrs. and SS energy: 12.878 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -923.209241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.209241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.609218 (E_RNA)
where:
Base-Base interactions energy: -639.919
where: short stacking energy: -259.699
Base-Backbone interact. energy: -1.827
local terms energy: -284.863249
where:
bonds (distance) C4'-P energy: -63.721
bonds (distance) P-C4' energy: -52.190
flat angles C4'-P-C4' energy: -60.810
flat angles P-C4'-P energy: -41.398
tors. eta vs tors. theta energy: -66.745
Dist. restrs. and SS energy: 3.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -822.454480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.454480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.746114 (E_RNA)
where:
Base-Base interactions energy: -584.635
where: short stacking energy: -230.646
Base-Backbone interact. energy: 1.229
local terms energy: -245.340208
where:
bonds (distance) C4'-P energy: -46.452
bonds (distance) P-C4' energy: -40.233
flat angles C4'-P-C4' energy: -67.054
flat angles P-C4'-P energy: -38.432
tors. eta vs tors. theta energy: -53.170
Dist. restrs. and SS energy: 6.292 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -793.521177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.521177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.984203 (E_RNA)
where:
Base-Base interactions energy: -546.916
where: short stacking energy: -216.151
Base-Backbone interact. energy: -0.948
local terms energy: -257.119782
where:
bonds (distance) C4'-P energy: -46.607
bonds (distance) P-C4' energy: -52.278
flat angles C4'-P-C4' energy: -63.192
flat angles P-C4'-P energy: -36.602
tors. eta vs tors. theta energy: -58.441
Dist. restrs. and SS energy: 11.463 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -1244.796794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.796794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.171730 (E_RNA)
where:
Base-Base interactions energy: -863.355
where: short stacking energy: -351.522
Base-Backbone interact. energy: -1.585
local terms energy: -383.230891
where:
bonds (distance) C4'-P energy: -69.850
bonds (distance) P-C4' energy: -76.580
flat angles C4'-P-C4' energy: -75.354
flat angles P-C4'-P energy: -55.224
tors. eta vs tors. theta energy: -106.223
Dist. restrs. and SS energy: 3.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -1183.877776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.877776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.810067 (E_RNA)
where:
Base-Base interactions energy: -842.637
where: short stacking energy: -342.398
Base-Backbone interact. energy: -1.394
local terms energy: -342.779367
where:
bonds (distance) C4'-P energy: -65.734
bonds (distance) P-C4' energy: -62.434
flat angles C4'-P-C4' energy: -81.405
flat angles P-C4'-P energy: -42.515
tors. eta vs tors. theta energy: -90.691
Dist. restrs. and SS energy: 2.932 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -1128.781639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.781639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.181848 (E_RNA)
where:
Base-Base interactions energy: -787.532
where: short stacking energy: -313.157
Base-Backbone interact. energy: -0.662
local terms energy: -343.987571
where:
bonds (distance) C4'-P energy: -60.166
bonds (distance) P-C4' energy: -67.697
flat angles C4'-P-C4' energy: -73.551
flat angles P-C4'-P energy: -50.304
tors. eta vs tors. theta energy: -92.269
Dist. restrs. and SS energy: 3.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -1116.461208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.461208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.045374 (E_RNA)
where:
Base-Base interactions energy: -784.042
where: short stacking energy: -317.757
Base-Backbone interact. energy: -1.377
local terms energy: -335.625649
where:
bonds (distance) C4'-P energy: -67.947
bonds (distance) P-C4' energy: -58.788
flat angles C4'-P-C4' energy: -69.401
flat angles P-C4'-P energy: -52.081
tors. eta vs tors. theta energy: -87.408
Dist. restrs. and SS energy: 4.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -985.506198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.506198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.181349 (E_RNA)
where:
Base-Base interactions energy: -674.145
where: short stacking energy: -279.519
Base-Backbone interact. energy: 2.941
local terms energy: -318.977300
where:
bonds (distance) C4'-P energy: -66.384
bonds (distance) P-C4' energy: -60.527
flat angles C4'-P-C4' energy: -58.363
flat angles P-C4'-P energy: -51.885
tors. eta vs tors. theta energy: -81.818
Dist. restrs. and SS energy: 4.675 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -965.988420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.988420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.527042 (E_RNA)
where:
Base-Base interactions energy: -679.287
where: short stacking energy: -289.571
Base-Backbone interact. energy: -1.494
local terms energy: -291.745709
where:
bonds (distance) C4'-P energy: -51.560
bonds (distance) P-C4' energy: -61.466
flat angles C4'-P-C4' energy: -62.745
flat angles P-C4'-P energy: -42.493
tors. eta vs tors. theta energy: -73.481
Dist. restrs. and SS energy: 6.539 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -965.839830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.839830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.336740 (E_RNA)
where:
Base-Base interactions energy: -676.897
where: short stacking energy: -253.778
Base-Backbone interact. energy: 0.953
local terms energy: -298.392879
where:
bonds (distance) C4'-P energy: -55.799
bonds (distance) P-C4' energy: -75.559
flat angles C4'-P-C4' energy: -70.236
flat angles P-C4'-P energy: -38.830
tors. eta vs tors. theta energy: -57.969
Dist. restrs. and SS energy: 8.497 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -920.850138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.850138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.007908 (E_RNA)
where:
Base-Base interactions energy: -644.620
where: short stacking energy: -273.697
Base-Backbone interact. energy: -0.416
local terms energy: -282.971870
where:
bonds (distance) C4'-P energy: -49.194
bonds (distance) P-C4' energy: -53.790
flat angles C4'-P-C4' energy: -68.133
flat angles P-C4'-P energy: -41.778
tors. eta vs tors. theta energy: -70.078
Dist. restrs. and SS energy: 7.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -862.604724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.604724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.663546 (E_RNA)
where:
Base-Base interactions energy: -611.959
where: short stacking energy: -221.636
Base-Backbone interact. energy: 1.325
local terms energy: -255.029234
where:
bonds (distance) C4'-P energy: -57.347
bonds (distance) P-C4' energy: -56.317
flat angles C4'-P-C4' energy: -57.708
flat angles P-C4'-P energy: -41.562
tors. eta vs tors. theta energy: -42.096
Dist. restrs. and SS energy: 3.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -767.874713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.874713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.209343 (E_RNA)
where:
Base-Base interactions energy: -510.670
where: short stacking energy: -205.100
Base-Backbone interact. energy: 0.358
local terms energy: -267.897731
where:
bonds (distance) C4'-P energy: -60.866
bonds (distance) P-C4' energy: -73.699
flat angles C4'-P-C4' energy: -60.258
flat angles P-C4'-P energy: -30.528
tors. eta vs tors. theta energy: -42.546
Dist. restrs. and SS energy: 10.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -1214.758532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.758532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.872478 (E_RNA)
where:
Base-Base interactions energy: -866.394
where: short stacking energy: -342.299
Base-Backbone interact. energy: -2.238
local terms energy: -349.240698
where:
bonds (distance) C4'-P energy: -68.196
bonds (distance) P-C4' energy: -66.449
flat angles C4'-P-C4' energy: -79.203
flat angles P-C4'-P energy: -42.735
tors. eta vs tors. theta energy: -92.657
Dist. restrs. and SS energy: 3.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -1189.135731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.135731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.818193 (E_RNA)
where:
Base-Base interactions energy: -833.669
where: short stacking energy: -350.674
Base-Backbone interact. energy: -1.604
local terms energy: -356.544765
where:
bonds (distance) C4'-P energy: -65.404
bonds (distance) P-C4' energy: -68.848
flat angles C4'-P-C4' energy: -85.759
flat angles P-C4'-P energy: -45.930
tors. eta vs tors. theta energy: -90.604
Dist. restrs. and SS energy: 2.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -1156.790383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.790383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.848949 (E_RNA)
where:
Base-Base interactions energy: -816.902
where: short stacking energy: -332.297
Base-Backbone interact. energy: 0.448
local terms energy: -343.394730
where:
bonds (distance) C4'-P energy: -56.487
bonds (distance) P-C4' energy: -70.075
flat angles C4'-P-C4' energy: -78.779
flat angles P-C4'-P energy: -47.769
tors. eta vs tors. theta energy: -90.285
Dist. restrs. and SS energy: 3.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -1086.968249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.968249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.706161 (E_RNA)
where:
Base-Base interactions energy: -751.592
where: short stacking energy: -319.775
Base-Backbone interact. energy: -0.415
local terms energy: -337.698294
where:
bonds (distance) C4'-P energy: -60.995
bonds (distance) P-C4' energy: -66.342
flat angles C4'-P-C4' energy: -73.851
flat angles P-C4'-P energy: -48.379
tors. eta vs tors. theta energy: -88.131
Dist. restrs. and SS energy: 2.738 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -1023.801775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.801775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.554015 (E_RNA)
where:
Base-Base interactions energy: -699.867
where: short stacking energy: -282.914
Base-Backbone interact. energy: -1.456
local terms energy: -330.231459
where:
bonds (distance) C4'-P energy: -69.889
bonds (distance) P-C4' energy: -60.404
flat angles C4'-P-C4' energy: -75.209
flat angles P-C4'-P energy: -46.453
tors. eta vs tors. theta energy: -78.276
Dist. restrs. and SS energy: 7.752 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -985.518027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.518027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.770271 (E_RNA)
where:
Base-Base interactions energy: -679.590
where: short stacking energy: -266.776
Base-Backbone interact. energy: -2.293
local terms energy: -307.887461
where:
bonds (distance) C4'-P energy: -60.226
bonds (distance) P-C4' energy: -72.924
flat angles C4'-P-C4' energy: -66.778
flat angles P-C4'-P energy: -47.114
tors. eta vs tors. theta energy: -60.845
Dist. restrs. and SS energy: 4.252 (S_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: 486
Temperature: 1.200000
Total energy: -968.900752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.900752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.900244 (E_RNA)
where:
Base-Base interactions energy: -670.980
where: short stacking energy: -265.553
Base-Backbone interact. energy: -1.280
local terms energy: -301.640641
where:
bonds (distance) C4'-P energy: -53.982
bonds (distance) P-C4' energy: -59.730
flat angles C4'-P-C4' energy: -69.080
flat angles P-C4'-P energy: -46.372
tors. eta vs tors. theta energy: -72.477
Dist. restrs. and SS energy: 4.999 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -933.038650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.038650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.453510 (E_RNA)
where:
Base-Base interactions energy: -643.538
where: short stacking energy: -240.483
Base-Backbone interact. energy: -1.332
local terms energy: -291.583406
where:
bonds (distance) C4'-P energy: -57.803
bonds (distance) P-C4' energy: -54.634
flat angles C4'-P-C4' energy: -68.137
flat angles P-C4'-P energy: -46.672
tors. eta vs tors. theta energy: -64.339
Dist. restrs. and SS energy: 3.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -784.952547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.952547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.944373 (E_RNA)
where:
Base-Base interactions energy: -548.575
where: short stacking energy: -208.783
Base-Backbone interact. energy: 0.485
local terms energy: -248.854670
where:
bonds (distance) C4'-P energy: -60.165
bonds (distance) P-C4' energy: -52.374
flat angles C4'-P-C4' energy: -60.990
flat angles P-C4'-P energy: -35.196
tors. eta vs tors. theta energy: -40.129
Dist. restrs. and SS energy: 11.992 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -850.790966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.790966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.074641 (E_RNA)
where:
Base-Base interactions energy: -614.234
where: short stacking energy: -235.060
Base-Backbone interact. energy: 2.764
local terms energy: -243.604659
where:
bonds (distance) C4'-P energy: -39.995
bonds (distance) P-C4' energy: -66.496
flat angles C4'-P-C4' energy: -51.224
flat angles P-C4'-P energy: -39.205
tors. eta vs tors. theta energy: -46.684
Dist. restrs. and SS energy: 4.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -1208.314272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.314272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.963861 (E_RNA)
where:
Base-Base interactions energy: -868.374
where: short stacking energy: -329.953
Base-Backbone interact. energy: -3.908
local terms energy: -338.681488
where:
bonds (distance) C4'-P energy: -60.081
bonds (distance) P-C4' energy: -62.089
flat angles C4'-P-C4' energy: -74.312
flat angles P-C4'-P energy: -56.768
tors. eta vs tors. theta energy: -85.432
Dist. restrs. and SS energy: 2.650 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -1199.953625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.953625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.740510 (E_RNA)
where:
Base-Base interactions energy: -846.718
where: short stacking energy: -331.333
Base-Backbone interact. energy: 0.044
local terms energy: -356.066748
where:
bonds (distance) C4'-P energy: -63.431
bonds (distance) P-C4' energy: -60.840
flat angles C4'-P-C4' energy: -78.453
flat angles P-C4'-P energy: -54.329
tors. eta vs tors. theta energy: -99.014
Dist. restrs. and SS energy: 2.787 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -1157.473936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.473936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.770775 (E_RNA)
where:
Base-Base interactions energy: -794.390
where: short stacking energy: -326.393
Base-Backbone interact. energy: -2.036
local terms energy: -364.345019
where:
bonds (distance) C4'-P energy: -65.518
bonds (distance) P-C4' energy: -71.531
flat angles C4'-P-C4' energy: -82.737
flat angles P-C4'-P energy: -49.966
tors. eta vs tors. theta energy: -94.592
Dist. restrs. and SS energy: 3.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -1108.486698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.486698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.664821 (E_RNA)
where:
Base-Base interactions energy: -775.390
where: short stacking energy: -329.383
Base-Backbone interact. energy: -2.720
local terms energy: -334.555127
where:
bonds (distance) C4'-P energy: -59.782
bonds (distance) P-C4' energy: -70.088
flat angles C4'-P-C4' energy: -69.546
flat angles P-C4'-P energy: -46.467
tors. eta vs tors. theta energy: -88.672
Dist. restrs. and SS energy: 4.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -1020.251157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.251157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.821399 (E_RNA)
where:
Base-Base interactions energy: -705.600
where: short stacking energy: -287.039
Base-Backbone interact. energy: -0.537
local terms energy: -322.684103
where:
bonds (distance) C4'-P energy: -50.757
bonds (distance) P-C4' energy: -72.902
flat angles C4'-P-C4' energy: -70.223
flat angles P-C4'-P energy: -50.611
tors. eta vs tors. theta energy: -78.191
Dist. restrs. and SS energy: 8.570 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -971.411589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.411589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.040537 (E_RNA)
where:
Base-Base interactions energy: -691.889
where: short stacking energy: -262.459
Base-Backbone interact. energy: 2.083
local terms energy: -285.234349
where:
bonds (distance) C4'-P energy: -65.292
bonds (distance) P-C4' energy: -53.936
flat angles C4'-P-C4' energy: -62.695
flat angles P-C4'-P energy: -32.615
tors. eta vs tors. theta energy: -70.696
Dist. restrs. and SS energy: 3.629 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -965.099191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.099191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.654331 (E_RNA)
where:
Base-Base interactions energy: -664.471
where: short stacking energy: -268.486
Base-Backbone interact. energy: -1.652
local terms energy: -307.532074
where:
bonds (distance) C4'-P energy: -45.932
bonds (distance) P-C4' energy: -65.401
flat angles C4'-P-C4' energy: -71.314
flat angles P-C4'-P energy: -50.319
tors. eta vs tors. theta energy: -74.566
Dist. restrs. and SS energy: 8.555 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -936.830994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.830994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.399259 (E_RNA)
where:
Base-Base interactions energy: -645.394
where: short stacking energy: -246.095
Base-Backbone interact. energy: -2.119
local terms energy: -293.886151
where:
bonds (distance) C4'-P energy: -55.143
bonds (distance) P-C4' energy: -63.175
flat angles C4'-P-C4' energy: -55.774
flat angles P-C4'-P energy: -46.167
tors. eta vs tors. theta energy: -73.626
Dist. restrs. and SS energy: 4.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -782.328243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.328243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.708583 (E_RNA)
where:
Base-Base interactions energy: -562.536
where: short stacking energy: -214.609
Base-Backbone interact. energy: -1.458
local terms energy: -229.714704
where:
bonds (distance) C4'-P energy: -50.477
bonds (distance) P-C4' energy: -54.786
flat angles C4'-P-C4' energy: -58.097
flat angles P-C4'-P energy: -19.968
tors. eta vs tors. theta energy: -46.387
Dist. restrs. and SS energy: 11.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -832.896630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.896630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.636141 (E_RNA)
where:
Base-Base interactions energy: -593.793
where: short stacking energy: -228.411
Base-Backbone interact. energy: 3.927
local terms energy: -247.770240
where:
bonds (distance) C4'-P energy: -50.130
bonds (distance) P-C4' energy: -61.318
flat angles C4'-P-C4' energy: -63.525
flat angles P-C4'-P energy: -17.760
tors. eta vs tors. theta energy: -55.038
Dist. restrs. and SS energy: 4.740 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -1214.433369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.433369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.293911 (E_RNA)
where:
Base-Base interactions energy: -839.288
where: short stacking energy: -352.342
Base-Backbone interact. energy: 1.120
local terms energy: -380.125820
where:
bonds (distance) C4'-P energy: -65.054
bonds (distance) P-C4' energy: -73.941
flat angles C4'-P-C4' energy: -80.242
flat angles P-C4'-P energy: -51.204
tors. eta vs tors. theta energy: -109.685
Dist. restrs. and SS energy: 3.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -1200.780019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.780019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.151617 (E_RNA)
where:
Base-Base interactions energy: -857.558
where: short stacking energy: -350.002
Base-Backbone interact. energy: -3.082
local terms energy: -343.511250
where:
bonds (distance) C4'-P energy: -57.273
bonds (distance) P-C4' energy: -58.146
flat angles C4'-P-C4' energy: -70.944
flat angles P-C4'-P energy: -55.204
tors. eta vs tors. theta energy: -101.944
Dist. restrs. and SS energy: 3.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -1133.893667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.893667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.598384 (E_RNA)
where:
Base-Base interactions energy: -813.535
where: short stacking energy: -333.359
Base-Backbone interact. energy: 1.029
local terms energy: -326.092779
where:
bonds (distance) C4'-P energy: -71.505
bonds (distance) P-C4' energy: -58.752
flat angles C4'-P-C4' energy: -68.964
flat angles P-C4'-P energy: -42.922
tors. eta vs tors. theta energy: -83.950
Dist. restrs. and SS energy: 4.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -1074.780092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.780092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.151170 (E_RNA)
where:
Base-Base interactions energy: -739.190
where: short stacking energy: -309.986
Base-Backbone interact. energy: -0.272
local terms energy: -338.688707
where:
bonds (distance) C4'-P energy: -64.831
bonds (distance) P-C4' energy: -58.956
flat angles C4'-P-C4' energy: -75.270
flat angles P-C4'-P energy: -49.742
tors. eta vs tors. theta energy: -89.889
Dist. restrs. and SS energy: 3.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -994.465852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.465852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.058572 (E_RNA)
where:
Base-Base interactions energy: -682.724
where: short stacking energy: -279.447
Base-Backbone interact. energy: -2.942
local terms energy: -312.392676
where:
bonds (distance) C4'-P energy: -72.915
bonds (distance) P-C4' energy: -65.944
flat angles C4'-P-C4' energy: -62.912
flat angles P-C4'-P energy: -47.721
tors. eta vs tors. theta energy: -62.901
Dist. restrs. and SS energy: 3.593 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -977.068409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.068409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.307798 (E_RNA)
where:
Base-Base interactions energy: -692.586
where: short stacking energy: -270.161
Base-Backbone interact. energy: -0.676
local terms energy: -290.046116
where:
bonds (distance) C4'-P energy: -48.460
bonds (distance) P-C4' energy: -65.972
flat angles C4'-P-C4' energy: -65.030
flat angles P-C4'-P energy: -36.868
tors. eta vs tors. theta energy: -73.715
Dist. restrs. and SS energy: 6.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -911.081332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.081332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.975355 (E_RNA)
where:
Base-Base interactions energy: -636.122
where: short stacking energy: -257.506
Base-Backbone interact. energy: -0.644
local terms energy: -281.210041
where:
bonds (distance) C4'-P energy: -61.084
bonds (distance) P-C4' energy: -57.809
flat angles C4'-P-C4' energy: -57.527
flat angles P-C4'-P energy: -47.349
tors. eta vs tors. theta energy: -57.441
Dist. restrs. and SS energy: 6.894 (S_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: 488
Temperature: 1.250000
Total energy: -923.154033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.154033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.894273 (E_RNA)
where:
Base-Base interactions energy: -630.506
where: short stacking energy: -245.055
Base-Backbone interact. energy: 0.423
local terms energy: -298.811993
where:
bonds (distance) C4'-P energy: -60.068
bonds (distance) P-C4' energy: -59.953
flat angles C4'-P-C4' energy: -62.271
flat angles P-C4'-P energy: -46.078
tors. eta vs tors. theta energy: -70.442
Dist. restrs. and SS energy: 5.740 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -816.208897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.208897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.603315 (E_RNA)
where:
Base-Base interactions energy: -576.461
where: short stacking energy: -222.000
Base-Backbone interact. energy: -1.953
local terms energy: -243.189331
where:
bonds (distance) C4'-P energy: -50.026
bonds (distance) P-C4' energy: -52.424
flat angles C4'-P-C4' energy: -54.422
flat angles P-C4'-P energy: -30.886
tors. eta vs tors. theta energy: -55.431
Dist. restrs. and SS energy: 5.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -817.033955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.033955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.817044 (E_RNA)
where:
Base-Base interactions energy: -613.667
where: short stacking energy: -221.445
Base-Backbone interact. energy: 2.186
local terms energy: -216.335208
where:
bonds (distance) C4'-P energy: -35.725
bonds (distance) P-C4' energy: -44.610
flat angles C4'-P-C4' energy: -53.054
flat angles P-C4'-P energy: -34.793
tors. eta vs tors. theta energy: -48.154
Dist. restrs. and SS energy: 10.783 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -1230.016641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.016641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.503553 (E_RNA)
where:
Base-Base interactions energy: -864.738
where: short stacking energy: -343.135
Base-Backbone interact. energy: -2.334
local terms energy: -366.431758
where:
bonds (distance) C4'-P energy: -64.677
bonds (distance) P-C4' energy: -66.206
flat angles C4'-P-C4' energy: -76.065
flat angles P-C4'-P energy: -58.725
tors. eta vs tors. theta energy: -100.758
Dist. restrs. and SS energy: 3.487 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -1200.738374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.738374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.775686 (E_RNA)
where:
Base-Base interactions energy: -859.837
where: short stacking energy: -343.796
Base-Backbone interact. energy: 4.559
local terms energy: -348.497070
where:
bonds (distance) C4'-P energy: -67.621
bonds (distance) P-C4' energy: -56.609
flat angles C4'-P-C4' energy: -77.401
flat angles P-C4'-P energy: -51.482
tors. eta vs tors. theta energy: -95.385
Dist. restrs. and SS energy: 3.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -1155.133436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.133436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.899201 (E_RNA)
where:
Base-Base interactions energy: -799.475
where: short stacking energy: -330.658
Base-Backbone interact. energy: -0.802
local terms energy: -357.622683
where:
bonds (distance) C4'-P energy: -70.403
bonds (distance) P-C4' energy: -66.624
flat angles C4'-P-C4' energy: -74.558
flat angles P-C4'-P energy: -52.062
tors. eta vs tors. theta energy: -93.975
Dist. restrs. and SS energy: 2.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -1080.017614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.017614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.432103 (E_RNA)
where:
Base-Base interactions energy: -756.809
where: short stacking energy: -309.065
Base-Backbone interact. energy: -1.790
local terms energy: -324.832409
where:
bonds (distance) C4'-P energy: -69.520
bonds (distance) P-C4' energy: -55.424
flat angles C4'-P-C4' energy: -72.510
flat angles P-C4'-P energy: -40.816
tors. eta vs tors. theta energy: -86.562
Dist. restrs. and SS energy: 3.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -1006.916862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.916862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.974127 (E_RNA)
where:
Base-Base interactions energy: -693.264
where: short stacking energy: -279.532
Base-Backbone interact. energy: -1.936
local terms energy: -314.774737
where:
bonds (distance) C4'-P energy: -58.631
bonds (distance) P-C4' energy: -66.206
flat angles C4'-P-C4' energy: -80.747
flat angles P-C4'-P energy: -45.162
tors. eta vs tors. theta energy: -64.028
Dist. restrs. and SS energy: 3.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -950.929975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.929975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.796631 (E_RNA)
where:
Base-Base interactions energy: -662.341
where: short stacking energy: -266.359
Base-Backbone interact. energy: -1.207
local terms energy: -294.248411
where:
bonds (distance) C4'-P energy: -51.407
bonds (distance) P-C4' energy: -66.669
flat angles C4'-P-C4' energy: -63.557
flat angles P-C4'-P energy: -43.435
tors. eta vs tors. theta energy: -69.182
Dist. restrs. and SS energy: 6.867 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -955.834624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.834624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.220532 (E_RNA)
where:
Base-Base interactions energy: -673.319
where: short stacking energy: -270.024
Base-Backbone interact. energy: -0.546
local terms energy: -292.354856
where:
bonds (distance) C4'-P energy: -61.020
bonds (distance) P-C4' energy: -59.168
flat angles C4'-P-C4' energy: -69.386
flat angles P-C4'-P energy: -31.107
tors. eta vs tors. theta energy: -71.675
Dist. restrs. and SS energy: 10.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -928.717216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.717216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.623698 (E_RNA)
where:
Base-Base interactions energy: -653.343
where: short stacking energy: -268.440
Base-Backbone interact. energy: 1.281
local terms energy: -283.561798
where:
bonds (distance) C4'-P energy: -60.267
bonds (distance) P-C4' energy: -65.606
flat angles C4'-P-C4' energy: -56.429
flat angles P-C4'-P energy: -34.897
tors. eta vs tors. theta energy: -66.363
Dist. restrs. and SS energy: 6.906 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -793.222447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.222447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.070098 (E_RNA)
where:
Base-Base interactions energy: -571.927
where: short stacking energy: -223.831
Base-Backbone interact. energy: 0.080
local terms energy: -228.222698
where:
bonds (distance) C4'-P energy: -47.504
bonds (distance) P-C4' energy: -38.869
flat angles C4'-P-C4' energy: -54.736
flat angles P-C4'-P energy: -41.535
tors. eta vs tors. theta energy: -45.578
Dist. restrs. and SS energy: 6.848 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -840.765175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.765175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.164080 (E_RNA)
where:
Base-Base interactions energy: -588.906
where: short stacking energy: -225.819
Base-Backbone interact. energy: 2.497
local terms energy: -263.755076
where:
bonds (distance) C4'-P energy: -65.021
bonds (distance) P-C4' energy: -59.894
flat angles C4'-P-C4' energy: -54.026
flat angles P-C4'-P energy: -38.537
tors. eta vs tors. theta energy: -46.277
Dist. restrs. and SS energy: 9.399 (S_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: 490
Temperature: 0.900000
Total energy: -1241.109043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.109043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.436862 (E_RNA)
where:
Base-Base interactions energy: -882.573
where: short stacking energy: -352.458
Base-Backbone interact. energy: -1.799
local terms energy: -360.065035
where:
bonds (distance) C4'-P energy: -62.041
bonds (distance) P-C4' energy: -63.953
flat angles C4'-P-C4' energy: -79.329
flat angles P-C4'-P energy: -54.324
tors. eta vs tors. theta energy: -100.418
Dist. restrs. and SS energy: 3.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -1202.018409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.018409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.001126 (E_RNA)
where:
Base-Base interactions energy: -845.059
where: short stacking energy: -344.424
Base-Backbone interact. energy: -1.673
local terms energy: -359.268789
where:
bonds (distance) C4'-P energy: -58.925
bonds (distance) P-C4' energy: -74.756
flat angles C4'-P-C4' energy: -81.935
flat angles P-C4'-P energy: -48.123
tors. eta vs tors. theta energy: -95.529
Dist. restrs. and SS energy: 3.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -1105.248897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.248897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.024579 (E_RNA)
where:
Base-Base interactions energy: -759.280
where: short stacking energy: -316.612
Base-Backbone interact. energy: -1.414
local terms energy: -348.331043
where:
bonds (distance) C4'-P energy: -60.010
bonds (distance) P-C4' energy: -69.916
flat angles C4'-P-C4' energy: -74.383
flat angles P-C4'-P energy: -53.202
tors. eta vs tors. theta energy: -90.821
Dist. restrs. and SS energy: 3.776 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -1072.122358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.122358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.446279 (E_RNA)
where:
Base-Base interactions energy: -736.558
where: short stacking energy: -290.740
Base-Backbone interact. energy: -1.446
local terms energy: -338.442080
where:
bonds (distance) C4'-P energy: -70.925
bonds (distance) P-C4' energy: -68.932
flat angles C4'-P-C4' energy: -64.997
flat angles P-C4'-P energy: -54.122
tors. eta vs tors. theta energy: -79.467
Dist. restrs. and SS energy: 4.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -980.577321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.577321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.759766 (E_RNA)
where:
Base-Base interactions energy: -685.714
where: short stacking energy: -285.261
Base-Backbone interact. energy: -1.437
local terms energy: -297.609081
where:
bonds (distance) C4'-P energy: -51.631
bonds (distance) P-C4' energy: -67.944
flat angles C4'-P-C4' energy: -73.724
flat angles P-C4'-P energy: -44.387
tors. eta vs tors. theta energy: -59.924
Dist. restrs. and SS energy: 4.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -986.063622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.063622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.277556 (E_RNA)
where:
Base-Base interactions energy: -701.896
where: short stacking energy: -269.709
Base-Backbone interact. energy: -2.119
local terms energy: -285.262074
where:
bonds (distance) C4'-P energy: -45.759
bonds (distance) P-C4' energy: -63.472
flat angles C4'-P-C4' energy: -69.408
flat angles P-C4'-P energy: -41.241
tors. eta vs tors. theta energy: -65.382
Dist. restrs. and SS energy: 3.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -953.650533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.650533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.855298 (E_RNA)
where:
Base-Base interactions energy: -667.936
where: short stacking energy: -280.332
Base-Backbone interact. energy: -0.410
local terms energy: -291.509887
where:
bonds (distance) C4'-P energy: -55.322
bonds (distance) P-C4' energy: -56.427
flat angles C4'-P-C4' energy: -59.572
flat angles P-C4'-P energy: -36.642
tors. eta vs tors. theta energy: -83.546
Dist. restrs. and SS energy: 6.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -886.784851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.784851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.352388 (E_RNA)
where:
Base-Base interactions energy: -649.961
where: short stacking energy: -251.249
Base-Backbone interact. energy: 6.429
local terms energy: -255.821230
where:
bonds (distance) C4'-P energy: -56.164
bonds (distance) P-C4' energy: -46.448
flat angles C4'-P-C4' energy: -55.717
flat angles P-C4'-P energy: -40.272
tors. eta vs tors. theta energy: -57.219
Dist. restrs. and SS energy: 12.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -847.069392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.069392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.935696 (E_RNA)
where:
Base-Base interactions energy: -602.228
where: short stacking energy: -220.975
Base-Backbone interact. energy: -1.418
local terms energy: -250.289636
where:
bonds (distance) C4'-P energy: -64.123
bonds (distance) P-C4' energy: -52.498
flat angles C4'-P-C4' energy: -61.898
flat angles P-C4'-P energy: -21.846
tors. eta vs tors. theta energy: -49.924
Dist. restrs. and SS energy: 6.866 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -754.708419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.708419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.361932 (E_RNA)
where:
Base-Base interactions energy: -530.111
where: short stacking energy: -210.991
Base-Backbone interact. energy: 2.167
local terms energy: -239.418291
where:
bonds (distance) C4'-P energy: -61.098
bonds (distance) P-C4' energy: -46.677
flat angles C4'-P-C4' energy: -55.776
flat angles P-C4'-P energy: -30.754
tors. eta vs tors. theta energy: -45.113
Dist. restrs. and SS energy: 12.654 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -1232.715445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.715445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.821458 (E_RNA)
where:
Base-Base interactions energy: -867.214
where: short stacking energy: -352.105
Base-Backbone interact. energy: -2.493
local terms energy: -366.114573
where:
bonds (distance) C4'-P energy: -63.478
bonds (distance) P-C4' energy: -70.963
flat angles C4'-P-C4' energy: -77.838
flat angles P-C4'-P energy: -52.115
tors. eta vs tors. theta energy: -101.720
Dist. restrs. and SS energy: 3.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -1193.171555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.171555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.291607 (E_RNA)
where:
Base-Base interactions energy: -847.739
where: short stacking energy: -348.050
Base-Backbone interact. energy: -3.692
local terms energy: -344.861040
where:
bonds (distance) C4'-P energy: -65.934
bonds (distance) P-C4' energy: -67.146
flat angles C4'-P-C4' energy: -70.118
flat angles P-C4'-P energy: -47.840
tors. eta vs tors. theta energy: -93.822
Dist. restrs. and SS energy: 3.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -1131.580662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.580662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.744439 (E_RNA)
where:
Base-Base interactions energy: -771.161
where: short stacking energy: -329.009
Base-Backbone interact. energy: -1.001
local terms energy: -364.581886
where:
bonds (distance) C4'-P energy: -64.420
bonds (distance) P-C4' energy: -72.245
flat angles C4'-P-C4' energy: -78.392
flat angles P-C4'-P energy: -53.769
tors. eta vs tors. theta energy: -95.758
Dist. restrs. and SS energy: 5.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -1087.493841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.493841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.244688 (E_RNA)
where:
Base-Base interactions energy: -763.314
where: short stacking energy: -285.879
Base-Backbone interact. energy: -3.494
local terms energy: -324.437407
where:
bonds (distance) C4'-P energy: -57.026
bonds (distance) P-C4' energy: -68.758
flat angles C4'-P-C4' energy: -73.948
flat angles P-C4'-P energy: -41.831
tors. eta vs tors. theta energy: -82.875
Dist. restrs. and SS energy: 3.751 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -1003.739372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.739372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.093622 (E_RNA)
where:
Base-Base interactions energy: -688.508
where: short stacking energy: -267.283
Base-Backbone interact. energy: -1.382
local terms energy: -320.203114
where:
bonds (distance) C4'-P energy: -71.820
bonds (distance) P-C4' energy: -62.321
flat angles C4'-P-C4' energy: -67.498
flat angles P-C4'-P energy: -49.681
tors. eta vs tors. theta energy: -68.884
Dist. restrs. and SS energy: 6.354 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -1013.611779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.611779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.381201 (E_RNA)
where:
Base-Base interactions energy: -705.298
where: short stacking energy: -290.494
Base-Backbone interact. energy: 0.830
local terms energy: -313.913358
where:
bonds (distance) C4'-P energy: -45.360
bonds (distance) P-C4' energy: -62.634
flat angles C4'-P-C4' energy: -69.758
flat angles P-C4'-P energy: -56.702
tors. eta vs tors. theta energy: -79.460
Dist. restrs. and SS energy: 4.769 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -969.573264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.573264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.727443 (E_RNA)
where:
Base-Base interactions energy: -668.940
where: short stacking energy: -269.899
Base-Backbone interact. energy: -0.864
local terms energy: -306.923456
where:
bonds (distance) C4'-P energy: -59.354
bonds (distance) P-C4' energy: -61.942
flat angles C4'-P-C4' energy: -58.703
flat angles P-C4'-P energy: -49.224
tors. eta vs tors. theta energy: -77.700
Dist. restrs. and SS energy: 7.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -886.834641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.834641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.909250 (E_RNA)
where:
Base-Base interactions energy: -598.244
where: short stacking energy: -232.865
Base-Backbone interact. energy: -1.049
local terms energy: -293.616688
where:
bonds (distance) C4'-P energy: -55.617
bonds (distance) P-C4' energy: -62.514
flat angles C4'-P-C4' energy: -72.561
flat angles P-C4'-P energy: -40.404
tors. eta vs tors. theta energy: -62.520
Dist. restrs. and SS energy: 6.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -859.590525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.590525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.103330 (E_RNA)
where:
Base-Base interactions energy: -608.274
where: short stacking energy: -221.956
Base-Backbone interact. energy: 1.343
local terms energy: -257.173015
where:
bonds (distance) C4'-P energy: -46.462
bonds (distance) P-C4' energy: -59.738
flat angles C4'-P-C4' energy: -61.159
flat angles P-C4'-P energy: -39.634
tors. eta vs tors. theta energy: -50.181
Dist. restrs. and SS energy: 4.513 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -809.215749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.215749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.571770 (E_RNA)
where:
Base-Base interactions energy: -561.064
where: short stacking energy: -211.290
Base-Backbone interact. energy: 1.117
local terms energy: -256.625259
where:
bonds (distance) C4'-P energy: -51.391
bonds (distance) P-C4' energy: -63.938
flat angles C4'-P-C4' energy: -56.816
flat angles P-C4'-P energy: -31.541
tors. eta vs tors. theta energy: -52.938
Dist. restrs. and SS energy: 7.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -1223.368706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.368706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.557176 (E_RNA)
where:
Base-Base interactions energy: -860.438
where: short stacking energy: -348.293
Base-Backbone interact. energy: -0.255
local terms energy: -365.864486
where:
bonds (distance) C4'-P energy: -57.386
bonds (distance) P-C4' energy: -65.554
flat angles C4'-P-C4' energy: -79.753
flat angles P-C4'-P energy: -57.954
tors. eta vs tors. theta energy: -105.217
Dist. restrs. and SS energy: 3.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -1188.799361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.799361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.487373 (E_RNA)
where:
Base-Base interactions energy: -841.715
where: short stacking energy: -321.180
Base-Backbone interact. energy: -4.449
local terms energy: -346.323095
where:
bonds (distance) C4'-P energy: -70.835
bonds (distance) P-C4' energy: -59.887
flat angles C4'-P-C4' energy: -77.210
flat angles P-C4'-P energy: -48.294
tors. eta vs tors. theta energy: -90.097
Dist. restrs. and SS energy: 3.688 (S_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: 492
Temperature: 1.000000
Total energy: -1120.672017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.672017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.611283 (E_RNA)
where:
Base-Base interactions energy: -775.882
where: short stacking energy: -314.283
Base-Backbone interact. energy: -1.074
local terms energy: -346.655316
where:
bonds (distance) C4'-P energy: -61.281
bonds (distance) P-C4' energy: -70.070
flat angles C4'-P-C4' energy: -65.617
flat angles P-C4'-P energy: -50.331
tors. eta vs tors. theta energy: -99.357
Dist. restrs. and SS energy: 2.939 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -1095.304098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.304098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.127266 (E_RNA)
where:
Base-Base interactions energy: -765.487
where: short stacking energy: -323.619
Base-Backbone interact. energy: -0.515
local terms energy: -334.125317
where:
bonds (distance) C4'-P energy: -49.140
bonds (distance) P-C4' energy: -68.958
flat angles C4'-P-C4' energy: -73.041
flat angles P-C4'-P energy: -51.097
tors. eta vs tors. theta energy: -91.890
Dist. restrs. and SS energy: 4.823 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -1018.410342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.410342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.847562 (E_RNA)
where:
Base-Base interactions energy: -703.231
where: short stacking energy: -282.023
Base-Backbone interact. energy: -1.977
local terms energy: -316.639794
where:
bonds (distance) C4'-P energy: -64.050
bonds (distance) P-C4' energy: -60.436
flat angles C4'-P-C4' energy: -67.933
flat angles P-C4'-P energy: -51.044
tors. eta vs tors. theta energy: -73.177
Dist. restrs. and SS energy: 3.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -943.038531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.038531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.792406 (E_RNA)
where:
Base-Base interactions energy: -643.485
where: short stacking energy: -262.048
Base-Backbone interact. energy: -0.479
local terms energy: -306.828773
where:
bonds (distance) C4'-P energy: -59.782
bonds (distance) P-C4' energy: -66.166
flat angles C4'-P-C4' energy: -69.651
flat angles P-C4'-P energy: -44.650
tors. eta vs tors. theta energy: -66.580
Dist. restrs. and SS energy: 7.754 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -966.454180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.454180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.355861 (E_RNA)
where:
Base-Base interactions energy: -663.273
where: short stacking energy: -258.381
Base-Backbone interact. energy: -0.960
local terms energy: -311.122887
where:
bonds (distance) C4'-P energy: -71.429
bonds (distance) P-C4' energy: -51.193
flat angles C4'-P-C4' energy: -74.978
flat angles P-C4'-P energy: -37.486
tors. eta vs tors. theta energy: -76.036
Dist. restrs. and SS energy: 8.902 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -903.779816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.779816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.366853 (E_RNA)
where:
Base-Base interactions energy: -628.109
where: short stacking energy: -246.261
Base-Backbone interact. energy: -0.722
local terms energy: -283.535909
where:
bonds (distance) C4'-P energy: -62.213
bonds (distance) P-C4' energy: -57.564
flat angles C4'-P-C4' energy: -55.823
flat angles P-C4'-P energy: -45.313
tors. eta vs tors. theta energy: -62.623
Dist. restrs. and SS energy: 8.587 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -820.624866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.624866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.871407 (E_RNA)
where:
Base-Base interactions energy: -590.584
where: short stacking energy: -231.602
Base-Backbone interact. energy: 2.071
local terms energy: -238.358885
where:
bonds (distance) C4'-P energy: -55.531
bonds (distance) P-C4' energy: -55.206
flat angles C4'-P-C4' energy: -43.332
flat angles P-C4'-P energy: -39.139
tors. eta vs tors. theta energy: -45.152
Dist. restrs. and SS energy: 6.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -813.259889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.259889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.896140 (E_RNA)
where:
Base-Base interactions energy: -567.592
where: short stacking energy: -214.690
Base-Backbone interact. energy: 1.500
local terms energy: -255.804565
where:
bonds (distance) C4'-P energy: -45.131
bonds (distance) P-C4' energy: -62.830
flat angles C4'-P-C4' energy: -58.485
flat angles P-C4'-P energy: -45.995
tors. eta vs tors. theta energy: -43.363
Dist. restrs. and SS energy: 8.636 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -1216.563617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.563617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.656326 (E_RNA)
where:
Base-Base interactions energy: -837.707
where: short stacking energy: -349.825
Base-Backbone interact. energy: -3.633
local terms energy: -378.316412
where:
bonds (distance) C4'-P energy: -63.276
bonds (distance) P-C4' energy: -74.908
flat angles C4'-P-C4' energy: -76.543
flat angles P-C4'-P energy: -59.801
tors. eta vs tors. theta energy: -103.789
Dist. restrs. and SS energy: 3.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -1174.579330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.579330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.746540 (E_RNA)
where:
Base-Base interactions energy: -831.140
where: short stacking energy: -324.036
Base-Backbone interact. energy: -2.105
local terms energy: -344.501886
where:
bonds (distance) C4'-P energy: -65.478
bonds (distance) P-C4' energy: -70.865
flat angles C4'-P-C4' energy: -71.651
flat angles P-C4'-P energy: -48.367
tors. eta vs tors. theta energy: -88.141
Dist. restrs. and SS energy: 3.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -1125.469257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.469257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.843944 (E_RNA)
where:
Base-Base interactions energy: -798.976
where: short stacking energy: -334.722
Base-Backbone interact. energy: -1.533
local terms energy: -328.334941
where:
bonds (distance) C4'-P energy: -50.159
bonds (distance) P-C4' energy: -59.808
flat angles C4'-P-C4' energy: -74.555
flat angles P-C4'-P energy: -51.892
tors. eta vs tors. theta energy: -91.921
Dist. restrs. and SS energy: 3.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -1115.604072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.604072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.261869 (E_RNA)
where:
Base-Base interactions energy: -787.321
where: short stacking energy: -311.405
Base-Backbone interact. energy: 2.249
local terms energy: -334.189459
where:
bonds (distance) C4'-P energy: -60.640
bonds (distance) P-C4' energy: -58.706
flat angles C4'-P-C4' energy: -72.349
flat angles P-C4'-P energy: -50.630
tors. eta vs tors. theta energy: -91.865
Dist. restrs. and SS energy: 3.658 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -1023.922338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.922338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.094109 (E_RNA)
where:
Base-Base interactions energy: -710.717
where: short stacking energy: -285.572
Base-Backbone interact. energy: -0.854
local terms energy: -316.523178
where:
bonds (distance) C4'-P energy: -66.043
bonds (distance) P-C4' energy: -60.474
flat angles C4'-P-C4' energy: -69.022
flat angles P-C4'-P energy: -44.861
tors. eta vs tors. theta energy: -76.122
Dist. restrs. and SS energy: 4.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -974.268675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.268675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.832133 (E_RNA)
where:
Base-Base interactions energy: -663.825
where: short stacking energy: -277.272
Base-Backbone interact. energy: 0.521
local terms energy: -318.528313
where:
bonds (distance) C4'-P energy: -66.400
bonds (distance) P-C4' energy: -64.610
flat angles C4'-P-C4' energy: -67.243
flat angles P-C4'-P energy: -42.500
tors. eta vs tors. theta energy: -77.776
Dist. restrs. and SS energy: 7.563 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -945.548099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.548099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.039148 (E_RNA)
where:
Base-Base interactions energy: -679.762
where: short stacking energy: -266.179
Base-Backbone interact. energy: 0.063
local terms energy: -272.339839
where:
bonds (distance) C4'-P energy: -50.394
bonds (distance) P-C4' energy: -54.704
flat angles C4'-P-C4' energy: -58.755
flat angles P-C4'-P energy: -45.590
tors. eta vs tors. theta energy: -62.897
Dist. restrs. and SS energy: 6.491 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -970.440478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.440478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.114767 (E_RNA)
where:
Base-Base interactions energy: -666.383
where: short stacking energy: -278.997
Base-Backbone interact. energy: -1.419
local terms energy: -309.312852
where:
bonds (distance) C4'-P energy: -53.007
bonds (distance) P-C4' energy: -67.285
flat angles C4'-P-C4' energy: -63.134
flat angles P-C4'-P energy: -42.042
tors. eta vs tors. theta energy: -83.845
Dist. restrs. and SS energy: 6.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -847.017581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.017581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.898210 (E_RNA)
where:
Base-Base interactions energy: -587.295
where: short stacking energy: -231.879
Base-Backbone interact. energy: -3.194
local terms energy: -265.409178
where:
bonds (distance) C4'-P energy: -55.811
bonds (distance) P-C4' energy: -41.428
flat angles C4'-P-C4' energy: -70.687
flat angles P-C4'-P energy: -41.530
tors. eta vs tors. theta energy: -55.953
Dist. restrs. and SS energy: 8.881 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -852.673284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.673284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.442293 (E_RNA)
where:
Base-Base interactions energy: -618.949
where: short stacking energy: -254.365
Base-Backbone interact. energy: 4.196
local terms energy: -250.688973
where:
bonds (distance) C4'-P energy: -57.019
bonds (distance) P-C4' energy: -51.105
flat angles C4'-P-C4' energy: -48.446
flat angles P-C4'-P energy: -32.871
tors. eta vs tors. theta energy: -61.248
Dist. restrs. and SS energy: 12.769 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -1209.317224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.317224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.817871 (E_RNA)
where:
Base-Base interactions energy: -824.476
where: short stacking energy: -326.265
Base-Backbone interact. energy: -3.926
local terms energy: -384.416148
where:
bonds (distance) C4'-P energy: -75.286
bonds (distance) P-C4' energy: -68.198
flat angles C4'-P-C4' energy: -81.672
flat angles P-C4'-P energy: -63.402
tors. eta vs tors. theta energy: -95.858
Dist. restrs. and SS energy: 3.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -1213.533708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.533708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.489440 (E_RNA)
where:
Base-Base interactions energy: -825.009
where: short stacking energy: -362.668
Base-Backbone interact. energy: -0.944
local terms energy: -391.536055
where:
bonds (distance) C4'-P energy: -69.558
bonds (distance) P-C4' energy: -76.603
flat angles C4'-P-C4' energy: -78.949
flat angles P-C4'-P energy: -59.085
tors. eta vs tors. theta energy: -107.342
Dist. restrs. and SS energy: 3.956 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -1136.504580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.504580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.862158 (E_RNA)
where:
Base-Base interactions energy: -786.129
where: short stacking energy: -331.386
Base-Backbone interact. energy: -1.993
local terms energy: -351.739982
where:
bonds (distance) C4'-P energy: -65.335
bonds (distance) P-C4' energy: -69.905
flat angles C4'-P-C4' energy: -74.341
flat angles P-C4'-P energy: -51.233
tors. eta vs tors. theta energy: -90.926
Dist. restrs. and SS energy: 3.358 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -1129.047186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.047186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.005733 (E_RNA)
where:
Base-Base interactions energy: -797.157
where: short stacking energy: -338.193
Base-Backbone interact. energy: 1.997
local terms energy: -336.845668
where:
bonds (distance) C4'-P energy: -58.600
bonds (distance) P-C4' energy: -72.191
flat angles C4'-P-C4' energy: -64.998
flat angles P-C4'-P energy: -48.503
tors. eta vs tors. theta energy: -92.553
Dist. restrs. and SS energy: 2.959 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -1046.348526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.348526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.645341 (E_RNA)
where:
Base-Base interactions energy: -748.651
where: short stacking energy: -291.306
Base-Backbone interact. energy: -1.661
local terms energy: -299.332987
where:
bonds (distance) C4'-P energy: -49.489
bonds (distance) P-C4' energy: -68.119
flat angles C4'-P-C4' energy: -64.309
flat angles P-C4'-P energy: -35.555
tors. eta vs tors. theta energy: -81.861
Dist. restrs. and SS energy: 3.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -991.549598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.549598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.891503 (E_RNA)
where:
Base-Base interactions energy: -689.037
where: short stacking energy: -267.951
Base-Backbone interact. energy: -2.123
local terms energy: -303.731851
where:
bonds (distance) C4'-P energy: -62.535
bonds (distance) P-C4' energy: -64.066
flat angles C4'-P-C4' energy: -62.233
flat angles P-C4'-P energy: -47.313
tors. eta vs tors. theta energy: -67.585
Dist. restrs. and SS energy: 3.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -950.552927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.552927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.633780 (E_RNA)
where:
Base-Base interactions energy: -668.973
where: short stacking energy: -259.886
Base-Backbone interact. energy: -0.276
local terms energy: -285.385165
where:
bonds (distance) C4'-P energy: -57.452
bonds (distance) P-C4' energy: -61.574
flat angles C4'-P-C4' energy: -63.537
flat angles P-C4'-P energy: -40.375
tors. eta vs tors. theta energy: -62.447
Dist. restrs. and SS energy: 4.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -913.629039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.629039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.418796 (E_RNA)
where:
Base-Base interactions energy: -638.295
where: short stacking energy: -244.233
Base-Backbone interact. energy: 2.938
local terms energy: -285.061558
where:
bonds (distance) C4'-P energy: -55.527
bonds (distance) P-C4' energy: -58.000
flat angles C4'-P-C4' energy: -56.619
flat angles P-C4'-P energy: -48.956
tors. eta vs tors. theta energy: -65.961
Dist. restrs. and SS energy: 6.790 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -925.954820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.954820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.531588 (E_RNA)
where:
Base-Base interactions energy: -644.369
where: short stacking energy: -261.038
Base-Backbone interact. energy: -1.068
local terms energy: -289.094177
where:
bonds (distance) C4'-P energy: -52.030
bonds (distance) P-C4' energy: -70.186
flat angles C4'-P-C4' energy: -59.370
flat angles P-C4'-P energy: -42.932
tors. eta vs tors. theta energy: -64.576
Dist. restrs. and SS energy: 8.577 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -837.265683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.265683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.361665 (E_RNA)
where:
Base-Base interactions energy: -614.287
where: short stacking energy: -225.350
Base-Backbone interact. energy: -1.004
local terms energy: -229.069897
where:
bonds (distance) C4'-P energy: -41.465
bonds (distance) P-C4' energy: -52.647
flat angles C4'-P-C4' energy: -55.840
flat angles P-C4'-P energy: -39.397
tors. eta vs tors. theta energy: -39.720
Dist. restrs. and SS energy: 7.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -1210.321093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.321093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.274972 (E_RNA)
where:
Base-Base interactions energy: -854.697
where: short stacking energy: -341.284
Base-Backbone interact. energy: 0.442
local terms energy: -360.020145
where:
bonds (distance) C4'-P energy: -61.789
bonds (distance) P-C4' energy: -77.705
flat angles C4'-P-C4' energy: -75.391
flat angles P-C4'-P energy: -54.554
tors. eta vs tors. theta energy: -90.581
Dist. restrs. and SS energy: 3.954 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -1198.997994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.997994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.337929 (E_RNA)
where:
Base-Base interactions energy: -835.232
where: short stacking energy: -336.595
Base-Backbone interact. energy: 1.143
local terms energy: -368.248615
where:
bonds (distance) C4'-P energy: -65.717
bonds (distance) P-C4' energy: -70.955
flat angles C4'-P-C4' energy: -79.321
flat angles P-C4'-P energy: -49.712
tors. eta vs tors. theta energy: -102.544
Dist. restrs. and SS energy: 3.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -1135.347152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.347152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.937094 (E_RNA)
where:
Base-Base interactions energy: -808.862
where: short stacking energy: -348.789
Base-Backbone interact. energy: -1.561
local terms energy: -328.514465
where:
bonds (distance) C4'-P energy: -52.952
bonds (distance) P-C4' energy: -59.920
flat angles C4'-P-C4' energy: -77.236
flat angles P-C4'-P energy: -50.765
tors. eta vs tors. theta energy: -87.642
Dist. restrs. and SS energy: 3.590 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -1108.382032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.382032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.414916 (E_RNA)
where:
Base-Base interactions energy: -762.782
where: short stacking energy: -320.412
Base-Backbone interact. energy: 1.123
local terms energy: -349.756113
where:
bonds (distance) C4'-P energy: -66.290
bonds (distance) P-C4' energy: -61.728
flat angles C4'-P-C4' energy: -73.566
flat angles P-C4'-P energy: -52.784
tors. eta vs tors. theta energy: -95.388
Dist. restrs. and SS energy: 3.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -1051.074124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.074124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.511098 (E_RNA)
where:
Base-Base interactions energy: -737.724
where: short stacking energy: -296.400
Base-Backbone interact. energy: 0.498
local terms energy: -317.284667
where:
bonds (distance) C4'-P energy: -60.154
bonds (distance) P-C4' energy: -63.655
flat angles C4'-P-C4' energy: -75.595
flat angles P-C4'-P energy: -33.478
tors. eta vs tors. theta energy: -84.403
Dist. restrs. and SS energy: 3.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -1010.896479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.896479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.886761 (E_RNA)
where:
Base-Base interactions energy: -698.158
where: short stacking energy: -292.294
Base-Backbone interact. energy: -0.696
local terms energy: -315.032720
where:
bonds (distance) C4'-P energy: -61.245
bonds (distance) P-C4' energy: -68.599
flat angles C4'-P-C4' energy: -64.905
flat angles P-C4'-P energy: -50.077
tors. eta vs tors. theta energy: -70.207
Dist. restrs. and SS energy: 2.990 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -941.167135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.167135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.979153 (E_RNA)
where:
Base-Base interactions energy: -656.643
where: short stacking energy: -267.416
Base-Backbone interact. energy: 2.761
local terms energy: -293.097236
where:
bonds (distance) C4'-P energy: -40.703
bonds (distance) P-C4' energy: -69.192
flat angles C4'-P-C4' energy: -65.993
flat angles P-C4'-P energy: -48.842
tors. eta vs tors. theta energy: -68.366
Dist. restrs. and SS energy: 5.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -939.545229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.545229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.674271 (E_RNA)
where:
Base-Base interactions energy: -651.239
where: short stacking energy: -247.324
Base-Backbone interact. energy: -0.886
local terms energy: -290.549285
where:
bonds (distance) C4'-P energy: -52.253
bonds (distance) P-C4' energy: -61.869
flat angles C4'-P-C4' energy: -67.065
flat angles P-C4'-P energy: -41.971
tors. eta vs tors. theta energy: -67.392
Dist. restrs. and SS energy: 3.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -880.926677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.926677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.948929 (E_RNA)
where:
Base-Base interactions energy: -606.824
where: short stacking energy: -241.140
Base-Backbone interact. energy: -0.269
local terms energy: -284.855907
where:
bonds (distance) C4'-P energy: -64.586
bonds (distance) P-C4' energy: -73.158
flat angles C4'-P-C4' energy: -61.416
flat angles P-C4'-P energy: -31.523
tors. eta vs tors. theta energy: -54.173
Dist. restrs. and SS energy: 11.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -818.678042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.678042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.136565 (E_RNA)
where:
Base-Base interactions energy: -568.220
where: short stacking energy: -231.460
Base-Backbone interact. energy: -0.845
local terms energy: -260.070812
where:
bonds (distance) C4'-P energy: -51.371
bonds (distance) P-C4' energy: -61.321
flat angles C4'-P-C4' energy: -53.000
flat angles P-C4'-P energy: -38.014
tors. eta vs tors. theta energy: -56.365
Dist. restrs. and SS energy: 10.459 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -1222.525686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.525686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.718591 (E_RNA)
where:
Base-Base interactions energy: -853.594
where: short stacking energy: -334.925
Base-Backbone interact. energy: -3.086
local terms energy: -369.038768
where:
bonds (distance) C4'-P energy: -60.217
bonds (distance) P-C4' energy: -71.792
flat angles C4'-P-C4' energy: -81.107
flat angles P-C4'-P energy: -59.405
tors. eta vs tors. theta energy: -96.519
Dist. restrs. and SS energy: 3.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -1207.214179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.214179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.164520 (E_RNA)
where:
Base-Base interactions energy: -837.881
where: short stacking energy: -347.534
Base-Backbone interact. energy: -1.351
local terms energy: -371.931811
where:
bonds (distance) C4'-P energy: -63.681
bonds (distance) P-C4' energy: -72.120
flat angles C4'-P-C4' energy: -76.581
flat angles P-C4'-P energy: -54.765
tors. eta vs tors. theta energy: -104.785
Dist. restrs. and SS energy: 3.950 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -1101.937332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.937332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.317648 (E_RNA)
where:
Base-Base interactions energy: -792.976
where: short stacking energy: -328.772
Base-Backbone interact. energy: -0.390
local terms energy: -311.952015
where:
bonds (distance) C4'-P energy: -52.188
bonds (distance) P-C4' energy: -50.585
flat angles C4'-P-C4' energy: -68.769
flat angles P-C4'-P energy: -49.504
tors. eta vs tors. theta energy: -90.905
Dist. restrs. and SS energy: 3.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -1081.960595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.960595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.321207 (E_RNA)
where:
Base-Base interactions energy: -752.050
where: short stacking energy: -309.734
Base-Backbone interact. energy: -1.031
local terms energy: -332.239969
where:
bonds (distance) C4'-P energy: -68.004
bonds (distance) P-C4' energy: -62.659
flat angles C4'-P-C4' energy: -67.561
flat angles P-C4'-P energy: -50.203
tors. eta vs tors. theta energy: -83.812
Dist. restrs. and SS energy: 3.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -1032.427393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.427393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.464106 (E_RNA)
where:
Base-Base interactions energy: -714.084
where: short stacking energy: -291.420
Base-Backbone interact. energy: 1.064
local terms energy: -322.444850
where:
bonds (distance) C4'-P energy: -54.572
bonds (distance) P-C4' energy: -71.695
flat angles C4'-P-C4' energy: -72.591
flat angles P-C4'-P energy: -45.732
tors. eta vs tors. theta energy: -77.855
Dist. restrs. and SS energy: 3.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -1035.184669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.184669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.121664 (E_RNA)
where:
Base-Base interactions energy: -712.898
where: short stacking energy: -281.810
Base-Backbone interact. energy: -1.579
local terms energy: -324.644424
where:
bonds (distance) C4'-P energy: -66.234
bonds (distance) P-C4' energy: -61.692
flat angles C4'-P-C4' energy: -67.420
flat angles P-C4'-P energy: -52.799
tors. eta vs tors. theta energy: -76.500
Dist. restrs. and SS energy: 3.937 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -937.813554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.813554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.074822 (E_RNA)
where:
Base-Base interactions energy: -656.477
where: short stacking energy: -270.508
Base-Backbone interact. energy: 0.994
local terms energy: -286.591928
where:
bonds (distance) C4'-P energy: -61.870
bonds (distance) P-C4' energy: -57.387
flat angles C4'-P-C4' energy: -57.813
flat angles P-C4'-P energy: -41.054
tors. eta vs tors. theta energy: -68.468
Dist. restrs. and SS energy: 4.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -912.705369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.705369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.751216 (E_RNA)
where:
Base-Base interactions energy: -637.181
where: short stacking energy: -247.612
Base-Backbone interact. energy: -2.450
local terms energy: -279.119721
where:
bonds (distance) C4'-P energy: -59.532
bonds (distance) P-C4' energy: -59.634
flat angles C4'-P-C4' energy: -64.422
flat angles P-C4'-P energy: -42.161
tors. eta vs tors. theta energy: -53.371
Dist. restrs. and SS energy: 6.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -879.568399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.568399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.083044 (E_RNA)
where:
Base-Base interactions energy: -616.442
where: short stacking energy: -252.557
Base-Backbone interact. energy: 0.823
local terms energy: -271.464175
where:
bonds (distance) C4'-P energy: -59.586
bonds (distance) P-C4' energy: -54.701
flat angles C4'-P-C4' energy: -60.437
flat angles P-C4'-P energy: -28.314
tors. eta vs tors. theta energy: -68.425
Dist. restrs. and SS energy: 7.515 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -772.607392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.607392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.028868 (E_RNA)
where:
Base-Base interactions energy: -552.646
where: short stacking energy: -205.398
Base-Backbone interact. energy: 0.745
local terms energy: -231.128033
where:
bonds (distance) C4'-P energy: -57.119
bonds (distance) P-C4' energy: -58.135
flat angles C4'-P-C4' energy: -41.401
flat angles P-C4'-P energy: -34.527
tors. eta vs tors. theta energy: -39.946
Dist. restrs. and SS energy: 10.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -1216.659534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.659534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.958982 (E_RNA)
where:
Base-Base interactions energy: -847.362
where: short stacking energy: -333.179
Base-Backbone interact. energy: 0.305
local terms energy: -373.901845
where:
bonds (distance) C4'-P energy: -72.386
bonds (distance) P-C4' energy: -73.472
flat angles C4'-P-C4' energy: -84.698
flat angles P-C4'-P energy: -49.369
tors. eta vs tors. theta energy: -93.977
Dist. restrs. and SS energy: 4.299 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -1213.097295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.097295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.821499 (E_RNA)
where:
Base-Base interactions energy: -854.462
where: short stacking energy: -353.292
Base-Backbone interact. energy: 0.410
local terms energy: -362.769371
where:
bonds (distance) C4'-P energy: -65.405
bonds (distance) P-C4' energy: -75.687
flat angles C4'-P-C4' energy: -71.387
flat angles P-C4'-P energy: -47.057
tors. eta vs tors. theta energy: -103.234
Dist. restrs. and SS energy: 3.724 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -1121.925348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.925348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.777955 (E_RNA)
where:
Base-Base interactions energy: -780.306
where: short stacking energy: -334.444
Base-Backbone interact. energy: 1.354
local terms energy: -345.825929
where:
bonds (distance) C4'-P energy: -58.366
bonds (distance) P-C4' energy: -68.625
flat angles C4'-P-C4' energy: -77.065
flat angles P-C4'-P energy: -47.736
tors. eta vs tors. theta energy: -94.034
Dist. restrs. and SS energy: 2.853 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -1108.218236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.218236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.394855 (E_RNA)
where:
Base-Base interactions energy: -770.469
where: short stacking energy: -328.652
Base-Backbone interact. energy: -1.922
local terms energy: -339.003487
where:
bonds (distance) C4'-P energy: -57.167
bonds (distance) P-C4' energy: -65.146
flat angles C4'-P-C4' energy: -74.456
flat angles P-C4'-P energy: -50.447
tors. eta vs tors. theta energy: -91.787
Dist. restrs. and SS energy: 3.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -1034.669579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.669579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.900885 (E_RNA)
where:
Base-Base interactions energy: -725.465
where: short stacking energy: -294.639
Base-Backbone interact. energy: -0.869
local terms energy: -312.566749
where:
bonds (distance) C4'-P energy: -65.823
bonds (distance) P-C4' energy: -58.254
flat angles C4'-P-C4' energy: -68.612
flat angles P-C4'-P energy: -39.161
tors. eta vs tors. theta energy: -80.717
Dist. restrs. and SS energy: 4.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -1020.053329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.053329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.759168 (E_RNA)
where:
Base-Base interactions energy: -726.532
where: short stacking energy: -281.778
Base-Backbone interact. energy: -0.569
local terms energy: -297.658505
where:
bonds (distance) C4'-P energy: -60.776
bonds (distance) P-C4' energy: -55.833
flat angles C4'-P-C4' energy: -55.490
flat angles P-C4'-P energy: -47.918
tors. eta vs tors. theta energy: -77.641
Dist. restrs. and SS energy: 4.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -974.050079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.050079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.481875 (E_RNA)
where:
Base-Base interactions energy: -681.549
where: short stacking energy: -294.417
Base-Backbone interact. energy: -1.228
local terms energy: -297.704647
where:
bonds (distance) C4'-P energy: -47.141
bonds (distance) P-C4' energy: -56.449
flat angles C4'-P-C4' energy: -71.734
flat angles P-C4'-P energy: -49.940
tors. eta vs tors. theta energy: -72.441
Dist. restrs. and SS energy: 6.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -875.101573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.101573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.248636 (E_RNA)
where:
Base-Base interactions energy: -617.925
where: short stacking energy: -241.742
Base-Backbone interact. energy: 0.580
local terms energy: -266.903811
where:
bonds (distance) C4'-P energy: -54.919
bonds (distance) P-C4' energy: -47.942
flat angles C4'-P-C4' energy: -61.174
flat angles P-C4'-P energy: -40.182
tors. eta vs tors. theta energy: -62.687
Dist. restrs. and SS energy: 9.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -920.549579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.549579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.846994 (E_RNA)
where:
Base-Base interactions energy: -657.420
where: short stacking energy: -262.942
Base-Backbone interact. energy: -0.637
local terms energy: -265.790029
where:
bonds (distance) C4'-P energy: -49.166
bonds (distance) P-C4' energy: -58.037
flat angles C4'-P-C4' energy: -60.870
flat angles P-C4'-P energy: -28.905
tors. eta vs tors. theta energy: -68.813
Dist. restrs. and SS energy: 3.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -804.731102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.731102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.922688 (E_RNA)
where:
Base-Base interactions energy: -550.571
where: short stacking energy: -214.182
Base-Backbone interact. energy: -1.017
local terms energy: -259.335203
where:
bonds (distance) C4'-P energy: -59.552
bonds (distance) P-C4' energy: -61.299
flat angles C4'-P-C4' energy: -59.273
flat angles P-C4'-P energy: -31.136
tors. eta vs tors. theta energy: -48.075
Dist. restrs. and SS energy: 6.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -1219.179714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.179714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.336352 (E_RNA)
where:
Base-Base interactions energy: -862.697
where: short stacking energy: -366.377
Base-Backbone interact. energy: 0.467
local terms energy: -360.107041
where:
bonds (distance) C4'-P energy: -63.478
bonds (distance) P-C4' energy: -64.657
flat angles C4'-P-C4' energy: -78.816
flat angles P-C4'-P energy: -51.616
tors. eta vs tors. theta energy: -101.539
Dist. restrs. and SS energy: 3.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -1193.085271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.085271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.244517 (E_RNA)
where:
Base-Base interactions energy: -837.702
where: short stacking energy: -353.717
Base-Backbone interact. energy: -2.728
local terms energy: -355.814525
where:
bonds (distance) C4'-P energy: -61.971
bonds (distance) P-C4' energy: -61.442
flat angles C4'-P-C4' energy: -81.682
flat angles P-C4'-P energy: -58.516
tors. eta vs tors. theta energy: -92.203
Dist. restrs. and SS energy: 3.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -1135.780468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.780468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.977027 (E_RNA)
where:
Base-Base interactions energy: -777.634
where: short stacking energy: -328.008
Base-Backbone interact. energy: -2.953
local terms energy: -358.390647
where:
bonds (distance) C4'-P energy: -61.659
bonds (distance) P-C4' energy: -62.823
flat angles C4'-P-C4' energy: -81.801
flat angles P-C4'-P energy: -53.485
tors. eta vs tors. theta energy: -98.623
Dist. restrs. and SS energy: 3.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -1087.840174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.840174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.478018 (E_RNA)
where:
Base-Base interactions energy: -751.856
where: short stacking energy: -301.986
Base-Backbone interact. energy: -3.447
local terms energy: -335.175024
where:
bonds (distance) C4'-P energy: -66.610
bonds (distance) P-C4' energy: -67.800
flat angles C4'-P-C4' energy: -72.605
flat angles P-C4'-P energy: -43.039
tors. eta vs tors. theta energy: -85.122
Dist. restrs. and SS energy: 2.638 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -1047.737290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.737290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.547512 (E_RNA)
where:
Base-Base interactions energy: -752.703
where: short stacking energy: -310.353
Base-Backbone interact. energy: -1.968
local terms energy: -296.875923
where:
bonds (distance) C4'-P energy: -44.318
bonds (distance) P-C4' energy: -64.572
flat angles C4'-P-C4' energy: -64.145
flat angles P-C4'-P energy: -44.468
tors. eta vs tors. theta energy: -79.373
Dist. restrs. and SS energy: 3.810 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -1002.997021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.997021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.572849 (E_RNA)
where:
Base-Base interactions energy: -697.195
where: short stacking energy: -274.667
Base-Backbone interact. energy: -1.072
local terms energy: -309.306418
where:
bonds (distance) C4'-P energy: -63.846
bonds (distance) P-C4' energy: -70.189
flat angles C4'-P-C4' energy: -65.263
flat angles P-C4'-P energy: -43.710
tors. eta vs tors. theta energy: -66.298
Dist. restrs. and SS energy: 4.576 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -938.802387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.802387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.526861 (E_RNA)
where:
Base-Base interactions energy: -657.810
where: short stacking energy: -266.185
Base-Backbone interact. energy: -1.473
local terms energy: -285.243781
where:
bonds (distance) C4'-P energy: -59.008
bonds (distance) P-C4' energy: -53.569
flat angles C4'-P-C4' energy: -61.955
flat angles P-C4'-P energy: -41.824
tors. eta vs tors. theta energy: -68.887
Dist. restrs. and SS energy: 5.724 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -848.058111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.058111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.519477 (E_RNA)
where:
Base-Base interactions energy: -597.169
where: short stacking energy: -236.707
Base-Backbone interact. energy: 0.611
local terms energy: -263.961331
where:
bonds (distance) C4'-P energy: -61.077
bonds (distance) P-C4' energy: -61.752
flat angles C4'-P-C4' energy: -60.199
flat angles P-C4'-P energy: -37.929
tors. eta vs tors. theta energy: -43.004
Dist. restrs. and SS energy: 12.461 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -873.638909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.638909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.623994 (E_RNA)
where:
Base-Base interactions energy: -615.146
where: short stacking energy: -224.127
Base-Backbone interact. energy: -2.482
local terms energy: -258.995836
where:
bonds (distance) C4'-P energy: -47.597
bonds (distance) P-C4' energy: -57.293
flat angles C4'-P-C4' energy: -59.481
flat angles P-C4'-P energy: -42.887
tors. eta vs tors. theta energy: -51.738
Dist. restrs. and SS energy: 2.985 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -810.126775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.126775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.039576 (E_RNA)
where:
Base-Base interactions energy: -565.104
where: short stacking energy: -206.656
Base-Backbone interact. energy: 0.692
local terms energy: -257.627457
where:
bonds (distance) C4'-P energy: -57.813
bonds (distance) P-C4' energy: -54.258
flat angles C4'-P-C4' energy: -59.703
flat angles P-C4'-P energy: -40.991
tors. eta vs tors. theta energy: -44.862
Dist. restrs. and SS energy: 11.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -1215.886348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.886348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.813267 (E_RNA)
where:
Base-Base interactions energy: -859.390
where: short stacking energy: -352.055
Base-Backbone interact. energy: -1.127
local terms energy: -359.296347
where:
bonds (distance) C4'-P energy: -69.324
bonds (distance) P-C4' energy: -64.938
flat angles C4'-P-C4' energy: -71.543
flat angles P-C4'-P energy: -51.257
tors. eta vs tors. theta energy: -102.235
Dist. restrs. and SS energy: 3.927 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -1204.647440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.647440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.744471 (E_RNA)
where:
Base-Base interactions energy: -850.041
where: short stacking energy: -342.692
Base-Backbone interact. energy: -2.050
local terms energy: -355.653215
where:
bonds (distance) C4'-P energy: -63.613
bonds (distance) P-C4' energy: -67.593
flat angles C4'-P-C4' energy: -77.786
flat angles P-C4'-P energy: -51.395
tors. eta vs tors. theta energy: -95.267
Dist. restrs. and SS energy: 3.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -1125.298624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.298624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.536609 (E_RNA)
where:
Base-Base interactions energy: -787.581
where: short stacking energy: -339.478
Base-Backbone interact. energy: -1.521
local terms energy: -339.435353
where:
bonds (distance) C4'-P energy: -65.105
bonds (distance) P-C4' energy: -57.759
flat angles C4'-P-C4' energy: -71.426
flat angles P-C4'-P energy: -50.318
tors. eta vs tors. theta energy: -94.827
Dist. restrs. and SS energy: 3.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -1060.881888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.881888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.549167 (E_RNA)
where:
Base-Base interactions energy: -759.677
where: short stacking energy: -312.383
Base-Backbone interact. energy: 2.997
local terms energy: -307.869166
where:
bonds (distance) C4'-P energy: -53.111
bonds (distance) P-C4' energy: -69.249
flat angles C4'-P-C4' energy: -69.085
flat angles P-C4'-P energy: -42.289
tors. eta vs tors. theta energy: -74.135
Dist. restrs. and SS energy: 3.667 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -1037.629769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.629769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.717492 (E_RNA)
where:
Base-Base interactions energy: -711.865
where: short stacking energy: -296.765
Base-Backbone interact. energy: -1.301
local terms energy: -328.550814
where:
bonds (distance) C4'-P energy: -66.881
bonds (distance) P-C4' energy: -71.114
flat angles C4'-P-C4' energy: -61.852
flat angles P-C4'-P energy: -52.081
tors. eta vs tors. theta energy: -76.623
Dist. restrs. and SS energy: 4.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -1016.067132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.067132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.700155 (E_RNA)
where:
Base-Base interactions energy: -715.862
where: short stacking energy: -280.517
Base-Backbone interact. energy: -2.141
local terms energy: -301.697254
where:
bonds (distance) C4'-P energy: -61.726
bonds (distance) P-C4' energy: -56.932
flat angles C4'-P-C4' energy: -51.319
flat angles P-C4'-P energy: -50.036
tors. eta vs tors. theta energy: -81.684
Dist. restrs. and SS energy: 3.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -940.851486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.851486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.031507 (E_RNA)
where:
Base-Base interactions energy: -661.181
where: short stacking energy: -259.824
Base-Backbone interact. energy: -1.220
local terms energy: -283.629972
where:
bonds (distance) C4'-P energy: -57.912
bonds (distance) P-C4' energy: -66.154
flat angles C4'-P-C4' energy: -61.913
flat angles P-C4'-P energy: -36.849
tors. eta vs tors. theta energy: -60.802
Dist. restrs. and SS energy: 5.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -913.354984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.354984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.806215 (E_RNA)
where:
Base-Base interactions energy: -657.959
where: short stacking energy: -261.440
Base-Backbone interact. energy: -1.697
local terms energy: -260.149396
where:
bonds (distance) C4'-P energy: -62.530
bonds (distance) P-C4' energy: -42.638
flat angles C4'-P-C4' energy: -55.606
flat angles P-C4'-P energy: -30.566
tors. eta vs tors. theta energy: -68.809
Dist. restrs. and SS energy: 6.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -827.786971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.786971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.649527 (E_RNA)
where:
Base-Base interactions energy: -569.398
where: short stacking energy: -236.656
Base-Backbone interact. energy: -1.584
local terms energy: -268.667098
where:
bonds (distance) C4'-P energy: -55.067
bonds (distance) P-C4' energy: -54.677
flat angles C4'-P-C4' energy: -68.553
flat angles P-C4'-P energy: -28.345
tors. eta vs tors. theta energy: -62.024
Dist. restrs. and SS energy: 11.863 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -822.938722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.938722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.489302 (E_RNA)
where:
Base-Base interactions energy: -568.180
where: short stacking energy: -216.445
Base-Backbone interact. energy: -2.791
local terms energy: -264.518757
where:
bonds (distance) C4'-P energy: -46.104
bonds (distance) P-C4' energy: -63.780
flat angles C4'-P-C4' energy: -55.458
flat angles P-C4'-P energy: -43.276
tors. eta vs tors. theta energy: -55.901
Dist. restrs. and SS energy: 12.551 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -1228.142670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.142670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.326432 (E_RNA)
where:
Base-Base interactions energy: -866.437
where: short stacking energy: -360.383
Base-Backbone interact. energy: -0.462
local terms energy: -364.427611
where:
bonds (distance) C4'-P energy: -62.376
bonds (distance) P-C4' energy: -72.725
flat angles C4'-P-C4' energy: -81.008
flat angles P-C4'-P energy: -50.014
tors. eta vs tors. theta energy: -98.305
Dist. restrs. and SS energy: 3.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -1194.748813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.748813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.279845 (E_RNA)
where:
Base-Base interactions energy: -836.477
where: short stacking energy: -342.942
Base-Backbone interact. energy: 1.084
local terms energy: -362.886479
where:
bonds (distance) C4'-P energy: -61.890
bonds (distance) P-C4' energy: -70.279
flat angles C4'-P-C4' energy: -79.414
flat angles P-C4'-P energy: -49.215
tors. eta vs tors. theta energy: -102.088
Dist. restrs. and SS energy: 3.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -1119.222101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.222101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.343650 (E_RNA)
where:
Base-Base interactions energy: -792.363
where: short stacking energy: -327.929
Base-Backbone interact. energy: -0.939
local terms energy: -329.042056
where:
bonds (distance) C4'-P energy: -60.793
bonds (distance) P-C4' energy: -64.581
flat angles C4'-P-C4' energy: -71.447
flat angles P-C4'-P energy: -45.402
tors. eta vs tors. theta energy: -86.819
Dist. restrs. and SS energy: 3.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -1115.706759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.706759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.755235 (E_RNA)
where:
Base-Base interactions energy: -762.590
where: short stacking energy: -328.269
Base-Backbone interact. energy: -1.371
local terms energy: -354.794302
where:
bonds (distance) C4'-P energy: -59.908
bonds (distance) P-C4' energy: -70.826
flat angles C4'-P-C4' energy: -76.213
flat angles P-C4'-P energy: -51.924
tors. eta vs tors. theta energy: -95.923
Dist. restrs. and SS energy: 3.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -1028.598952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.598952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.149185 (E_RNA)
where:
Base-Base interactions energy: -718.493
where: short stacking energy: -284.917
Base-Backbone interact. energy: 0.364
local terms energy: -314.019480
where:
bonds (distance) C4'-P energy: -71.808
bonds (distance) P-C4' energy: -66.884
flat angles C4'-P-C4' energy: -58.009
flat angles P-C4'-P energy: -38.496
tors. eta vs tors. theta energy: -78.823
Dist. restrs. and SS energy: 3.550 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -1017.850191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.850191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.414863 (E_RNA)
where:
Base-Base interactions energy: -693.026
where: short stacking energy: -273.750
Base-Backbone interact. energy: -1.478
local terms energy: -327.910605
where:
bonds (distance) C4'-P energy: -71.472
bonds (distance) P-C4' energy: -54.027
flat angles C4'-P-C4' energy: -75.675
flat angles P-C4'-P energy: -47.624
tors. eta vs tors. theta energy: -79.113
Dist. restrs. and SS energy: 4.565 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -919.850295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.850295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.776026 (E_RNA)
where:
Base-Base interactions energy: -637.705
where: short stacking energy: -252.199
Base-Backbone interact. energy: 0.220
local terms energy: -287.290268
where:
bonds (distance) C4'-P energy: -53.428
bonds (distance) P-C4' energy: -62.587
flat angles C4'-P-C4' energy: -68.094
flat angles P-C4'-P energy: -37.523
tors. eta vs tors. theta energy: -65.659
Dist. restrs. and SS energy: 4.926 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -957.662255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.662255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.021979 (E_RNA)
where:
Base-Base interactions energy: -655.228
where: short stacking energy: -264.930
Base-Backbone interact. energy: -0.394
local terms energy: -307.399169
where:
bonds (distance) C4'-P energy: -64.972
bonds (distance) P-C4' energy: -55.246
flat angles C4'-P-C4' energy: -68.100
flat angles P-C4'-P energy: -48.551
tors. eta vs tors. theta energy: -70.530
Dist. restrs. and SS energy: 5.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -875.915491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.915491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.173518 (E_RNA)
where:
Base-Base interactions energy: -601.746
where: short stacking energy: -230.508
Base-Backbone interact. energy: 0.505
local terms energy: -278.932587
where:
bonds (distance) C4'-P energy: -59.322
bonds (distance) P-C4' energy: -69.425
flat angles C4'-P-C4' energy: -60.242
flat angles P-C4'-P energy: -37.142
tors. eta vs tors. theta energy: -52.801
Dist. restrs. and SS energy: 4.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -779.182708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.182708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.076340 (E_RNA)
where:
Base-Base interactions energy: -556.725
where: short stacking energy: -229.909
Base-Backbone interact. energy: 8.434
local terms energy: -240.785562
where:
bonds (distance) C4'-P energy: -62.630
bonds (distance) P-C4' energy: -44.327
flat angles C4'-P-C4' energy: -51.019
flat angles P-C4'-P energy: -26.005
tors. eta vs tors. theta energy: -56.805
Dist. restrs. and SS energy: 9.894 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -1216.319629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.319629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.570641 (E_RNA)
where:
Base-Base interactions energy: -861.808
where: short stacking energy: -359.455
Base-Backbone interact. energy: -2.367
local terms energy: -355.395606
where:
bonds (distance) C4'-P energy: -65.960
bonds (distance) P-C4' energy: -61.284
flat angles C4'-P-C4' energy: -75.885
flat angles P-C4'-P energy: -53.387
tors. eta vs tors. theta energy: -98.880
Dist. restrs. and SS energy: 3.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -1183.423258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.423258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.005385 (E_RNA)
where:
Base-Base interactions energy: -810.088
where: short stacking energy: -347.218
Base-Backbone interact. energy: -4.615
local terms energy: -372.301985
where:
bonds (distance) C4'-P energy: -62.689
bonds (distance) P-C4' energy: -74.372
flat angles C4'-P-C4' energy: -77.733
flat angles P-C4'-P energy: -54.870
tors. eta vs tors. theta energy: -102.638
Dist. restrs. and SS energy: 3.582 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -1101.682472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.682472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.843585 (E_RNA)
where:
Base-Base interactions energy: -760.902
where: short stacking energy: -306.796
Base-Backbone interact. energy: -3.309
local terms energy: -341.632901
where:
bonds (distance) C4'-P energy: -72.125
bonds (distance) P-C4' energy: -64.813
flat angles C4'-P-C4' energy: -72.503
flat angles P-C4'-P energy: -49.211
tors. eta vs tors. theta energy: -82.981
Dist. restrs. and SS energy: 4.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -1116.633135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.633135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.888289 (E_RNA)
where:
Base-Base interactions energy: -766.944
where: short stacking energy: -326.570
Base-Backbone interact. energy: 4.719
local terms energy: -357.663081
where:
bonds (distance) C4'-P energy: -65.805
bonds (distance) P-C4' energy: -72.205
flat angles C4'-P-C4' energy: -74.338
flat angles P-C4'-P energy: -49.215
tors. eta vs tors. theta energy: -96.100
Dist. restrs. and SS energy: 3.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -1023.685601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.685601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.370919 (E_RNA)
where:
Base-Base interactions energy: -711.856
where: short stacking energy: -290.465
Base-Backbone interact. energy: -0.863
local terms energy: -314.651497
where:
bonds (distance) C4'-P energy: -60.196
bonds (distance) P-C4' energy: -69.388
flat angles C4'-P-C4' energy: -68.910
flat angles P-C4'-P energy: -43.054
tors. eta vs tors. theta energy: -73.103
Dist. restrs. and SS energy: 3.685 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -1019.200557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.200557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.361106 (E_RNA)
where:
Base-Base interactions energy: -711.437
where: short stacking energy: -283.247
Base-Backbone interact. energy: 0.102
local terms energy: -312.026333
where:
bonds (distance) C4'-P energy: -62.078
bonds (distance) P-C4' energy: -64.725
flat angles C4'-P-C4' energy: -67.213
flat angles P-C4'-P energy: -52.503
tors. eta vs tors. theta energy: -65.507
Dist. restrs. and SS energy: 4.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -939.223016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.223016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.117052 (E_RNA)
where:
Base-Base interactions energy: -651.423
where: short stacking energy: -262.055
Base-Backbone interact. energy: -3.173
local terms energy: -289.520684
where:
bonds (distance) C4'-P energy: -44.815
bonds (distance) P-C4' energy: -66.011
flat angles C4'-P-C4' energy: -63.606
flat angles P-C4'-P energy: -40.451
tors. eta vs tors. theta energy: -74.636
Dist. restrs. and SS energy: 4.894 (S_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: 501
Temperature: 1.250000
Total energy: -900.098507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.098507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.450061 (E_RNA)
where:
Base-Base interactions energy: -628.719
where: short stacking energy: -262.676
Base-Backbone interact. energy: 1.571
local terms energy: -277.302473
where:
bonds (distance) C4'-P energy: -53.234
bonds (distance) P-C4' energy: -51.343
flat angles C4'-P-C4' energy: -66.000
flat angles P-C4'-P energy: -44.227
tors. eta vs tors. theta energy: -62.498
Dist. restrs. and SS energy: 4.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -880.070037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.070037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.220407 (E_RNA)
where:
Base-Base interactions energy: -612.108
where: short stacking energy: -244.268
Base-Backbone interact. energy: 6.892
local terms energy: -284.004560
where:
bonds (distance) C4'-P energy: -60.153
bonds (distance) P-C4' energy: -57.332
flat angles C4'-P-C4' energy: -61.710
flat angles P-C4'-P energy: -41.836
tors. eta vs tors. theta energy: -62.974
Dist. restrs. and SS energy: 9.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -811.139440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.139440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.566059 (E_RNA)
where:
Base-Base interactions energy: -561.166
where: short stacking energy: -216.912
Base-Backbone interact. energy: 0.971
local terms energy: -257.371289
where:
bonds (distance) C4'-P energy: -54.019
bonds (distance) P-C4' energy: -46.441
flat angles C4'-P-C4' energy: -61.110
flat angles P-C4'-P energy: -44.248
tors. eta vs tors. theta energy: -51.554
Dist. restrs. and SS energy: 6.427 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 7 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 63198290
moves confirmed later: 70303758
all moves confirmed: 133502048
percent of confirmed moves: 16.687756
current total energy: -1135.112801
recalc. total energy: -1135.112801
replica 6 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 50205715
moves confirmed later: 53408739
all moves confirmed: 103614454
percent of confirmed moves: 12.951807
current total energy: -1125.672968
recalc. total energy: -1125.672968
replica 8 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 62271932
moves confirmed later: 69006872
all moves confirmed: 131278804
percent of confirmed moves: 16.409851
current total energy: -1018.640581
recalc. total energy: -1018.640581
replica 5 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 55368543
moves confirmed later: 60087648
all moves confirmed: 115456191
percent of confirmed moves: 14.432024
current total energy: -1025.291234
recalc. total energy: -1025.291234
replica 1 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 52951423
moves confirmed later: 57298899
all moves confirmed: 110250322
percent of confirmed moves: 13.781290
current total energy: -958.685117
recalc. total energy: -958.685117
replica 3 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 61521330
moves confirmed later: 67954800
all moves confirmed: 129476130
percent of confirmed moves: 16.184516
current total energy: -900.742855
recalc. total energy: -900.742855
replica 2 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 62711450
moves confirmed later: 69566107
all moves confirmed: 132277557
percent of confirmed moves: 16.534695
current total energy: -906.549698
recalc. total energy: -906.549698
replica 10 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 69061343
moves confirmed later: 77565705
all moves confirmed: 146627048
percent of confirmed moves: 18.328381
current total energy: -784.713227
recalc. total energy: -784.713227
replica 4 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 65323273
moves confirmed later: 72964734
all moves confirmed: 138288007
percent of confirmed moves: 17.286001
current total energy: -748.864647
recalc. total energy: -748.864647
replica 9 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 65086457
moves confirmed later: 72616901
all moves confirmed: 137703358
percent of confirmed moves: 17.212920
current total energy: -611.150814
recalc. total energy: -611.150814
out arg RESULTS//1/8syk_A-e168fb10_01
Time of doing 8000000 iterations: 21640.618 seconds